data_2lu1_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 2lu1 _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 ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -131.38 133.87 45.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -137.69 143.58 41.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.38 137.24 42.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.296 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -109.85 111.99 23.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -74.26 92.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.8 166.1 22.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 t -154.72 122.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.737 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tp -120.85 -166.01 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.77 161.0 19.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.67 33.49 6.52 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.9 31.96 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.003 0.43 . . . . 0.0 110.523 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -20.14 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -59.29 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -57.03 -40.11 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -66.8 -25.77 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.35 -37.69 68.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.442 HG12 ' CG ' ' A' ' 73' ' ' TYR . 26.6 t -71.13 -43.87 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.238 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 73' ' ' TYR . 34.7 mm -63.69 -37.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -71.3 -33.01 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.045 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.24 -32.73 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -83.76 -51.8 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.35 -39.01 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 60.7 m-20 -67.23 -47.79 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.424 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.02 -64.22 0.88 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.231 0.538 . . . . 0.0 110.592 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.82 -29.28 59.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.916 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -36.8 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 0.0 110.522 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.425 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 6.7 m-85 -79.06 -32.96 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.3 t80 -77.72 -29.55 51.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.268 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -40.98 13.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.05 -52.67 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.58 9.94 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.485 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.4 t80 68.11 -64.7 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.193 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -144.21 119.8 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.07 -166.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -139.86 93.85 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -177.8 125.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -113.16 154.13 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.2 mt -132.75 139.32 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.353 0.597 . . . . 0.0 112.155 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.49 172.8 12.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.238 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 2.3 p90 -159.99 165.49 31.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.046 0.45 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -159.45 159.01 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.483 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.8 mp -104.02 126.2 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.914 0.388 . . . . 0.0 111.341 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.36 84.67 2.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.547 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.05 130.28 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.595 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.94 -17.69 46.48 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.606 2.204 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.6 mp -114.83 32.75 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.814 0.34 . . . . 0.0 111.399 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -139.3 -108.96 0.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.682 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -137.06 168.21 20.03 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.969 0.414 . . . . 0.0 111.227 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -95.5 142.28 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.366 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.32 104.2 11.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.408 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.5 mm -97.41 132.28 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.198 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.475 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 26.7 m-85 -128.73 92.9 3.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.258 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.52 104.88 11.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -85.09 116.0 1.75 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.969 2.446 . . . . 0.0 112.023 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.4 t -133.3 142.99 48.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.89 0.376 . . . . 0.0 111.255 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 tp -75.96 -30.44 58.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 63.11 131.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.34 -41.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 ttt -131.97 34.83 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.786 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -105.17 -36.23 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 57.51 26.82 13.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 57.72 54.66 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.63 24.23 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mt -117.41 -25.4 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -12.48 60.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.381 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -40.0 71.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -38.5 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.38 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 110.61 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.961 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mt -83.16 -45.35 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -45.34 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.329 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 102' ' ' LEU . 4.5 pp -72.36 -44.18 62.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.408 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 45.4 t-80 -59.48 -57.44 12.97 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.752 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.24 -32.27 62.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.779 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.66 -44.51 93.55 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.749 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tp -99.8 -0.97 38.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -78.37 -72.16 0.39 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -179.79 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -102.26 139.45 37.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.154 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.72 139.27 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 110.917 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.41 135.7 40.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.068 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.96 144.13 41.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.64 102.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.519 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -88.24 144.91 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.801 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 t 69.16 129.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.054 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -39.48 2.98 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -62.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.22 -51.8 0.62 Allowed Glycine 0 C--N 1.322 -0.227 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.219 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 46.01 -169.4 0.01 OUTLIER 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.012 0.434 . . . . 0.0 111.207 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.223 -0.302 0 CA-C-O 121.068 0.461 . . . . 0.0 110.464 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -57.48 -23.96 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 111.261 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -55.93 -51.6 67.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -30.8 68.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.851 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -76.26 -24.68 54.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.06 -36.65 66.91 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.423 HG11 ' CB ' ' A' ' 73' ' ' TYR . 21.3 t -75.25 -50.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -56.58 -28.75 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -75.38 -46.14 34.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.075 0.464 . . . . 0.0 110.678 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -73.03 -47.54 44.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.26 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.33 -45.14 49.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.758 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -57.77 -49.73 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 76.3 m-20 -57.22 -56.81 16.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -55.29 13.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.797 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -62.84 -29.53 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.731 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.55 -37.8 68.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 19.5 m-85 -79.24 -41.91 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.523 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.2 t80 -65.84 -25.8 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -23.37 24.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.325 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -43.21 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -109.09 9.6 26.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 42.64 31.08 0.27 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.782 0.325 . . . . 0.0 111.489 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -39.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 61' ' ' PHE . 12.8 tt0 75.76 81.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -93.14 164.85 13.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.46 154.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -133.83 156.86 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.692 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 33.8 mt -134.26 137.07 52.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.271 0.558 . . . . 0.0 111.76 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.24 164.09 30.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.19 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CB ' HG11 ' A' ' 49' ' ' VAL . 2.6 p90 -160.06 158.54 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.549 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -150.57 168.66 23.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.327 0.584 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -127.8 159.17 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.365 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.5 m -134.88 118.21 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.148 0.499 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.416 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -87.94 -52.92 0.38 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.612 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 77' ' ' THR . 59.3 Cg_exo -50.8 -28.17 22.45 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.662 2.241 . . . . 0.0 112.572 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.9 mt -106.09 -24.0 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.364 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 68.47 42.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -132.82 148.3 52.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.26 115.18 27.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.12 114.51 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.153 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.414 ' CD1' HG11 ' A' ' 49' ' ' VAL . 3.3 mm -108.84 131.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.688 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -129.14 92.94 3.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -98.19 107.11 39.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 91.9 Cg_endo -85.14 124.27 2.84 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.525 2.15 . . . . 0.0 112.551 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 90' ' ' PHE . 15.2 t -146.78 -162.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -30.99 5.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' HG22 ' A' ' 88' ' ' THR . 22.8 m-85 58.92 26.48 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -149.68 20.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -54.56 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.361 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -88.54 -3.88 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 65.97 59.27 0.71 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.83 41.34 2.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.567 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -93.39 52.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 tt -154.01 -48.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -59.11 -30.2 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -59.79 -30.85 69.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.76 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.85 80.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.954 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 44.5 mt -74.7 -32.4 62.15 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.035 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 mt -77.26 -36.99 53.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.891 0.377 . . . . 0.0 111.521 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -46.34 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.524 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -66.65 -42.81 86.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 111.044 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -62.94 -53.2 57.76 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 120.882 0.373 . . . . 0.0 110.61 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.24 -15.16 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.221 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.22 -66.46 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.34 -48.58 4.53 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.409 ' CD2' ' ND1' ' A' ' 106' ' ' HIS . 77.9 m-70 -59.47 -17.53 32.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.757 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.084 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.747 0.308 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -115.3 124.62 51.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -128.23 141.53 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -135.51 137.27 41.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.076 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 128.58 55.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.14 130.08 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 23.0 mt -137.61 133.15 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 111.057 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 t -155.63 122.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.12 0.486 . . . . 0.0 111.225 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tp -104.03 161.6 13.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -105.97 154.88 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.997 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.65 168.31 14.44 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.47 -54.05 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.46 0.066 0 CA-C-O 120.783 0.325 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -81.84 -16.9 49.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.23 -38.99 66.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -38.15 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -23.42 60.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -38.39 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.52 HG12 ' HB3' ' A' ' 73' ' ' TYR . 13.0 t -72.73 -47.35 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.14 -32.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.88 -44.35 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -72.88 -52.5 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.1 62.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -82.59 -45.73 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -60.16 -35.54 75.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 82.0 m-20 -73.9 -48.9 27.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.19 -55.1 16.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.54 -30.22 71.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -37.41 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.0 m-85 -78.31 -46.23 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.493 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -64.81 -24.12 67.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -87.83 -21.34 25.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.81 -42.8 7.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.152 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.63 9.59 11.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.2 t80 58.09 15.72 3.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.462 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER 162.2 146.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.517 0.327 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.21 155.93 25.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -98.58 81.74 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -169.84 117.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -121.54 155.7 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.48 142.55 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.153 0.502 . . . . 0.0 111.502 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.26 148.32 44.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.803 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.52 ' HB3' HG12 ' A' ' 49' ' ' VAL . 19.5 p90 -138.82 152.02 47.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.028 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.63 160.9 38.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 tt -131.1 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.28 -172.35 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m 65.15 138.92 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.7 -7.52 18.58 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.465 2.11 . . . . 0.0 112.795 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mt -96.82 29.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 53.91 67.38 1.02 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.112 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -104.12 120.0 40.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.693 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 19.9 tp -102.04 117.84 35.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 0.0 111.13 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.83 110.37 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.492 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -92.64 137.0 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 49.2 m-85 -125.1 96.43 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.7 tt -96.38 105.95 25.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.264 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.2 Cg_exo -74.79 119.75 5.83 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.687 2.258 . . . . 0.0 112.177 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 t -157.25 132.16 8.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.96 0.409 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -92.89 -14.71 27.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 63.83 133.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.172 0.51 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.8 -54.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 ttp -126.75 85.14 2.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -175.92 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 66.06 39.0 4.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.2 mtt 59.18 101.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.88 62.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.69 -45.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.003 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.18 -33.0 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -58.49 -29.61 66.36 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.009 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -76.16 -59.05 2.93 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.067 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.51 -49.84 54.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.842 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.8 -34.57 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.29 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -29.68 66.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.69 -58.3 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 33' ' ' LEU . 3.3 tm? -66.28 -29.36 69.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -65.94 0.6 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.39 -29.9 66.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -71.3 -34.73 70.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.1 tp -83.84 -33.02 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -20.69 58.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.501 -179.825 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.369 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -175.8 165.59 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -149.77 143.47 25.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.403 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.75 137.25 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.658 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mp -106.16 149.09 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.795 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.25 122.4 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mp -124.52 149.91 46.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -156.02 121.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.912 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -62.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -148.98 -71.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.802 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.54 -98.75 0.13 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -116.61 144.49 44.33 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.198 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.926 0.393 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -65.37 -28.31 69.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.03 -60.02 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 ptm -57.45 -37.96 73.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.55 . . . . 0.0 110.829 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -27.07 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.689 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.75 -43.47 75.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 73' ' ' TYR . 28.3 t -65.88 -58.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -48.08 -31.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -72.58 -42.03 65.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.29 -55.4 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.01 -31.99 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -81.44 -42.42 20.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.81 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.381 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 57.2 m-80 -72.48 -44.57 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.476 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 16.0 mt -52.84 -60.09 3.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.141 0.496 . . . . 0.0 110.767 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.76 -31.23 69.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -56.26 -34.48 66.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.04 0.447 . . . . 0.0 110.424 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 57' ' ' LEU . 13.5 m-85 -77.09 -44.49 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.561 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 8.4 t80 -71.47 -20.68 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -87.62 -22.24 24.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -97.9 -43.31 7.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -119.54 9.54 11.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.5 t80 40.97 38.93 0.74 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 111.759 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -135.7 -47.21 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.953 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 63.78 98.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.22 44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.72 130.28 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.27 139.91 48.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.22 136.21 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 111.88 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 t -138.39 170.19 16.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.304 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.433 ' CG ' HG11 ' A' ' 49' ' ' VAL . 6.2 p90 -155.28 152.83 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 111.356 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -166.01 168.85 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 pt -114.06 174.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.44 172.18 2.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.0 p 62.12 146.27 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.411 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.48 -13.36 27.63 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.439 2.092 . . . . 0.0 112.224 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 tp -76.6 -3.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.727 0.299 . . . . 0.0 111.389 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.6 t30 73.46 50.23 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.03 133.66 33.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.656 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.35 98.93 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.55 97.84 9.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.407 ' CD1' HG12 ' A' ' 49' ' ' VAL . 1.5 mm -83.39 132.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.197 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.33 101.79 7.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.944 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 86' ' ' ILE . 5.5 tt -104.14 102.02 29.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.18 115.54 3.75 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.915 2.41 . . . . 0.0 111.966 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -159.92 -172.32 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -122.56 98.4 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 35.3 p90 -60.27 86.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -165.38 -64.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -52.53 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 48.5 m-20 -104.0 42.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.13 34.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.34 -36.3 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.69 98.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 93' ' ' ASN . 1.4 mp -144.08 -66.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -21.65 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -27.91 36.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.188 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.42 -54.15 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.439 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.17 -32.57 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mt -73.79 -33.07 64.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.36 -26.74 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 31.5 mm -80.5 -52.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.275 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.0 pp -56.87 -43.9 81.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.415 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -67.43 -37.64 83.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.557 179.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.52 -36.33 83.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.615 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.96 -41.46 91.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -30.4 56.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -79.2 -6.9 57.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.603 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.642 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -138.06 119.08 14.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -115.93 143.22 45.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -135.36 137.25 42.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.154 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mp -117.03 115.79 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.06 125.02 39.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.14 179.51 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.0 t -155.12 120.65 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.97 98.12 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.924 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.8 -32.63 6.42 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.641 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -66.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.787 0.327 . . . . 0.0 110.755 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.775 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.772 0.32 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.05 -23.51 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -53.49 -34.96 59.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 ttt -50.71 -65.43 0.56 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.812 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -56.6 -24.29 46.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -47.6 71.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.447 HG13 ' CD1' ' A' ' 73' ' ' TYR . 19.7 t -64.5 -35.81 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.461 HD11 HG23 ' A' ' 50' ' ' ILE . 46.2 mt -62.0 -42.93 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.782 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -74.13 -41.47 61.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -73.17 -57.85 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.5 -30.84 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -40.2 53.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -32.95 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 60.1 m-80 -71.73 -53.87 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.02 -57.58 5.59 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.84 -27.77 63.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.615 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' A' ' 56' ' ' ASN . 37.5 m-85 -81.34 -29.43 34.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.664 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.6 t80 -80.07 -29.93 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.35 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -27.71 22.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.87 -46.77 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.684 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' LYS . 7.4 m170 -107.49 9.78 29.51 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.1 t80 64.05 -66.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.431 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -65.17 157.14 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.22 -169.19 2.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 88' ' ' THR . 1.0 OUTLIER -144.78 -159.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.32 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.337 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 18.7 tttt -116.48 167.15 11.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.006 0.431 . . . . 0.0 111.272 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.417 HG21 ' CG1' ' A' ' 86' ' ' ILE . 19.1 mt -128.78 148.58 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -138.19 165.25 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.23 -179.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CD1' HG13 ' A' ' 49' ' ' VAL . 6.7 p90 -158.33 159.45 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.627 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -161.97 157.01 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.492 . . . . 0.0 111.363 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -117.15 140.06 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -115.53 91.5 3.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.68 144.11 0.07 OUTLIER Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.09 -27.22 8.49 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.276 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 mm -110.24 37.79 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.704 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -138.98 -109.89 0.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.564 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -137.07 169.81 17.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.983 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mp -125.78 142.41 51.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.248 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -129.87 141.61 50.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 111.865 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.405 ' CD1' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -120.16 138.32 51.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.395 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -129.44 106.27 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.417 ' CG1' HG21 ' A' ' 71' ' ' ILE . 7.2 tt -106.83 101.06 35.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.448 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 10.3 Cg_exo -70.83 106.47 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.517 2.145 . . . . 0.0 111.763 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.41 HG21 ' CE2' ' A' ' 68' ' ' PHE . 3.1 m -159.93 171.36 19.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.975 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 3.1 tp -116.39 -5.77 11.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.45 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 19.1 p90 44.22 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 111.398 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -155.6 -43.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -71.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -23.75 26.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.1 p30 42.75 33.21 0.45 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.726 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -83.27 135.69 34.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 tp -169.2 -72.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.806 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 mt -88.02 -17.6 30.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.204 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -24.61 16.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -45.28 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.761 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.37 74.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.024 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -27.42 42.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.54 -28.95 62.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.5 tp -84.76 -41.62 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.55 -33.75 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.045 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -77.1 -48.35 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -57.93 -38.81 76.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.61 -30.56 64.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 tt -95.15 -0.41 53.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.14 -30.8 34.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.835 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.018 0.437 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -93.23 138.61 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.28 136.05 26.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -135.62 126.68 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.184 -179.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -101.91 149.01 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.731 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 27.7 mm -110.88 91.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.237 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -78.57 141.99 37.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 0.0 110.682 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.1 t 65.13 132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.313 0.578 . . . . 0.0 110.946 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.81 -65.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.231 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -35.95 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.76 -76.32 0.41 Allowed Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.097 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.49 -73.72 0.07 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 111.129 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.104 0.478 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.936 0.398 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -78.09 -4.52 47.77 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -56.14 -65.46 0.6 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.75 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.67 -27.92 69.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.67 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -66.17 -41.14 90.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 73' ' ' TYR . 22.0 t -67.95 -43.56 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.96 -36.64 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.063 0.458 . . . . 0.0 110.538 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -76.04 -52.18 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -66.53 -54.17 26.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.77 56.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.812 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -43.63 22.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.634 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -61.35 -31.08 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.314 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 49.4 m-80 -73.32 -49.0 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.588 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.27 -59.38 4.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -26.47 66.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.659 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.44 75.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.5 m-85 -80.92 -34.86 33.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.9 t80 -77.35 -25.24 50.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.21 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -87.39 -33.82 18.99 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.298 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -92.84 -50.88 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.19 9.75 29.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.588 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER 46.97 29.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.218 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.6 -175.59 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.788 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.02 143.18 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -151.64 35.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -166.67 158.74 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -128.97 147.7 50.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.1 mt -130.16 135.09 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 0.0 111.441 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.34 172.98 12.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' CD1' HG12 ' A' ' 49' ' ' VAL . 4.7 p90 -159.73 158.34 31.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.158 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.36 163.71 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.288 0.565 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -143.61 141.36 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.68 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.412 ' N ' ' CD1' ' A' ' 75' ' ' ILE . 0.7 OUTLIER -161.39 -164.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 p 67.49 141.49 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.6 -12.46 24.64 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.482 2.121 . . . . 0.0 112.834 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.89 19.43 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.271 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.21 87.75 0.05 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.575 0.226 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.453 ' CE2' ' CG2' ' A' ' 32' ' ' ILE . 4.3 t80 -125.47 122.67 37.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 33' ' ' LEU . 4.0 mm? -92.33 111.01 22.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.8 m -103.58 97.36 7.41 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.446 ' CD1' HG13 ' A' ' 49' ' ' VAL . 8.7 mm -84.05 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.018 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 25.8 m-85 -129.34 96.56 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.735 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 86' ' ' ILE . 4.7 tt -97.08 104.41 18.98 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.025 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 10.7 Cg_endo -90.23 118.69 0.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.983 2.455 . . . . 0.0 112.562 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 t -139.98 163.81 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 90' ' ' PHE . 4.3 mm? -90.17 -34.92 15.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.739 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 89' ' ' LEU . 31.5 t80 52.78 114.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.454 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.23 -77.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.803 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -20.71 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -49.67 -43.52 47.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 48.47 27.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.27 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtt -171.96 34.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.46 111.23 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.71 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.49 86.26 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.71 -10.18 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -56.21 -19.94 15.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.672 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.86 -50.19 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.54 81.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.589 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -33.92 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.656 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.46 -38.72 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.0 mt -59.15 -50.54 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER -65.04 -50.47 66.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.835 0.35 . . . . 0.0 110.39 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.4 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -57.56 -58.39 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 111.119 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -21.23 53.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -38.26 71.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.662 0.268 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.0 mt -99.92 -41.33 7.26 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.135 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.36 -27.81 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.681 0.276 . . . . 0.0 111.017 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 133.78 55.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -142.68 142.78 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.865 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -135.39 126.67 28.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.206 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mp -111.95 132.07 54.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -89.85 148.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD1' HG12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -139.88 157.02 46.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.3 t -154.77 121.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -179.98 7.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.192 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.17 -44.78 59.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.006 0.431 . . . . 0.0 110.998 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.25 31.43 2.22 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 114.0 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 110.735 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.75 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.592 0.234 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -62.39 -34.77 77.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -57.76 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 mtp -59.84 -47.96 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -57.85 -29.18 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -70.43 -39.22 74.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.689 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG12 HG13 ' A' ' 84' ' ' ILE . 16.9 t -71.51 -54.7 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 tp -52.52 -30.25 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.88 -40.37 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -80.92 -53.86 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.04 -28.46 52.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -81.74 -40.89 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.779 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.34 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 80.8 m-20 -72.89 -47.25 47.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -56.91 7.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.974 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.5 -27.12 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -58.44 -36.53 73.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.4 m-85 -82.02 -34.44 29.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -25.49 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.5 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -44.16 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -102.14 9.6 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 43.15 31.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -151.58 174.94 12.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.018 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 tt0 -139.65 127.03 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -146.62 -46.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.19 108.23 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 7.7 mttp -103.96 158.48 16.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.413 HG12 ' CG1' ' A' ' 86' ' ' ILE . 11.1 mt -133.76 146.02 32.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.27 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.05 120.39 15.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.4 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 36.1 p90 -120.86 146.68 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.289 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -154.89 152.6 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.039 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 pt -102.77 153.53 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -133.47 97.68 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.983 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.65 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 11.8 t -74.37 -30.4 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.007 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 77' ' ' THR . 37.4 Cg_exo -56.96 -34.45 97.43 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.038 1.825 . . . . 0.0 112.245 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -112.29 -10.98 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.384 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 t30 66.76 41.34 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -136.52 155.31 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -105.2 128.18 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.6 t -121.43 109.83 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.128 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.421 HG13 HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -98.93 93.26 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.487 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.8 t80 -78.83 84.63 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.039 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.474 HD12 HG22 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.8 106.2 9.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.389 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.8 Cg_exo -78.7 113.88 3.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.831 2.354 . . . . 0.0 112.116 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -150.79 139.16 20.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.985 0.422 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.42 -21.75 18.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.742 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.2 t80 61.28 119.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.1 0.476 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.94 -51.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.63 -43.43 80.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -54.23 -33.15 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.9 t30 48.8 29.79 2.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.6 mtt -156.02 -79.8 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -177.18 -172.61 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -174.56 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.89 -23.16 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -54.12 -28.54 40.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.348 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -82.87 -38.63 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.75 -39.03 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 4.1 pp -74.99 -26.82 59.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.63 -46.71 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.414 ' CD1' ' N ' ' A' ' 105' ' ' LEU . 2.6 pp -63.28 -46.71 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.598 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 102' ' ' LEU . 3.5 pp -63.7 -41.34 98.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.708 0.29 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -67.48 -40.88 85.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.651 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -30.63 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.87 -37.34 55.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.92 -34.05 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -14.01 62.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--O 1.239 0.513 0 CA-C-O 120.713 0.292 . . . . 0.0 110.889 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -144.62 128.69 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -133.65 143.56 48.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -131.89 113.31 13.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.21 122.38 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.12 103.36 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -95.21 152.71 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.304 0.573 . . . . 0.0 110.854 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.7 t 70.28 129.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.081 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' O ' ' CZ ' ' A' ' 81' ' ' PHE . 0.3 OUTLIER -110.94 -69.48 0.87 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.989 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -153.08 93.01 1.68 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.108 0.48 . . . . 0.0 110.535 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.92 165.86 12.42 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.636 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.73 173.55 1.94 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 120.784 0.326 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -86.3 -3.3 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.412 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -52.75 -34.66 53.84 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.37 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 ptp -65.66 -35.94 82.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.886 0.374 . . . . 0.0 110.783 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -73.2 -25.11 60.63 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -37.68 65.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' HD13 ' A' ' 84' ' ' ILE . 7.9 t -74.76 -45.41 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.739 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.1 tt -59.18 -29.32 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.279 0.562 . . . . 0.0 110.602 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.49 -52.82 8.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.451 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -67.49 -34.36 76.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.479 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.23 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.46 -49.73 17.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -41.28 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.422 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 88.2 m-20 -64.35 -49.11 72.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.75 -62.0 1.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -57.46 -28.38 63.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -57.98 -36.78 73.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.1 m-85 -79.2 -37.85 37.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 3.9 t80 -70.41 -27.92 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -87.82 -29.28 21.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.531 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.8 -47.73 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' PHE . 87.9 m-70 -118.11 9.39 12.66 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' HIS . 14.5 t80 58.11 131.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.945 0.403 . . . . 0.0 111.542 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm 61.56 130.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.25 163.46 27.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -129.68 -44.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.017 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -91.83 146.05 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -117.44 152.55 34.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 86' ' ' ILE . 5.0 tt -137.69 118.37 16.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.932 0.396 . . . . 0.0 111.758 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -97.52 128.17 44.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.086 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.463 ' HB2' HD13 ' A' ' 84' ' ' ILE . 19.2 p90 -133.7 143.55 48.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.0 111.292 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 158.28 34.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.3 tt -103.18 126.76 57.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.697 0.76 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -87.95 116.31 26.03 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.08 144.93 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.561 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.0 -34.51 57.17 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.427 2.085 . . . . 0.0 112.375 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pt -155.79 75.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.009 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -146.03 -77.56 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.434 0.459 . . . . 0.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.409 ' CZ ' ' O ' ' A' ' 35' ' ' LEU . 6.5 m-85 -136.98 169.64 17.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 111.139 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 1.8 tm? -122.24 125.02 45.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.321 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.99 124.71 51.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.232 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -130.03 112.85 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.86 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 95.8 m-85 -117.27 111.96 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.851 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 71' ' ' ILE . 7.8 tt -101.22 99.92 12.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.59 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 84.9 Cg_endo -85.69 126.07 2.93 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.547 2.164 . . . . 0.0 112.148 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 t -162.54 135.12 5.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.02 -19.64 45.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.506 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 61.3 t80 65.12 131.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.43 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.35 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -22.94 45.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -95.13 25.85 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 2.3 t30 -56.0 -22.13 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.0 mtm -89.6 14.19 12.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.401 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.3 102.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.78 -3.88 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.386 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.27 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 111.299 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -24.5 8.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.76 -33.58 68.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.332 0.586 . . . . 0.0 110.638 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.38 -38.95 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.93 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.62 -31.83 68.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.533 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -45.1 19.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.733 0.301 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.3 tp -58.07 -39.11 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.141 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -75.23 -38.85 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.882 0.372 . . . . 0.0 111.003 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 1.4 t-80 -72.17 -59.95 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -53.2 -33.22 51.86 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.65 -63.28 1.13 Allowed 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 tp -66.34 -21.97 66.26 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -59.79 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 C--O 1.234 0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.338 -179.508 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.743 0.306 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.84 129.95 55.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -137.96 143.19 40.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -135.39 137.2 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.959 0.409 . . . . 0.0 111.665 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -115.36 110.99 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.468 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.55 126.77 36.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.397 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -131.06 -178.06 4.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.326 178.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.6 t -152.07 121.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.14 165.03 24.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.894 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -140.39 123.19 16.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.163 0.506 . . . . 0.0 110.651 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.24 102.34 1.25 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.736 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.37 95.85 4.97 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.016 0.436 . . . . 0.0 110.699 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.752 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.976 0.417 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.39 -28.79 23.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -53.2 -43.56 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.332 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -60.66 -29.96 69.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.214 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -34.15 68.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 73' ' ' TYR . 3.7 t -66.51 -51.45 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.575 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.427 ' HB ' ' CZ ' ' A' ' 73' ' ' TYR . 1.7 tt -59.06 -30.26 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -47.76 57.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.185 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.7 -35.44 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.29 -29.71 70.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.831 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -43.0 36.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -59.41 -35.25 73.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.988 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 31.1 m-20 -71.3 -51.43 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.557 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 2.2 mt -52.77 -58.28 7.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.085 0.469 . . . . 0.0 110.755 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.2 -27.7 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -35.56 74.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.533 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.446 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 6.9 m-85 -78.58 -37.41 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.361 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.0 t80 -76.78 -20.29 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.021 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.77 -31.65 19.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -52.16 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.964 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -102.44 9.81 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.7 t80 47.18 29.18 1.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.679 0.276 . . . . 0.0 111.298 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.32 151.96 31.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -76.45 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 55.71 29.76 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.12 137.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 mtpm? -127.09 161.88 27.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.6 mt -138.92 144.73 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.182 0.515 . . . . 0.0 111.506 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.22 152.0 48.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.706 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.427 ' CZ ' ' HB ' ' A' ' 50' ' ' ILE . 11.8 p90 -143.98 147.09 33.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -164.22 168.78 18.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 pt -131.02 165.99 29.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.86 -171.93 0.94 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.69 141.8 0.06 OUTLIER Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.21 -7.11 20.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.33 2.02 . . . . 0.0 113.226 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.417 HD11 HG23 ' A' ' 79' ' ' ILE . 35.6 pt -95.12 23.68 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.227 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.19 49.47 17.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.998 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -86.53 131.22 34.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -101.14 131.89 46.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.96 0.41 . . . . 0.0 111.061 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.86 113.84 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.586 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -100.2 117.65 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.293 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.447 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 15.6 m-85 -102.44 84.83 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.751 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.421 ' O ' HG21 ' A' ' 86' ' ' ILE . 7.1 tt -93.74 105.22 15.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.77 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 2.9 Cg_exo -75.39 111.36 3.29 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.62 2.214 . . . . 0.0 111.678 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.3 m -148.9 140.48 23.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 3.2 mm? -70.15 -27.65 64.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.475 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.458 ' HB3' ' O ' ' A' ' 89' ' ' LEU . 40.1 t80 73.95 142.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 90' ' ' PHE . 11.4 t0 81.6 1.08 1.55 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.342 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -31.46 31.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.962 0.41 . . . . 0.0 110.57 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -103.35 1.56 32.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.226 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.36 60.97 0.16 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.019 0.437 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.7 mtt 59.18 41.18 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.46 86.38 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.66 -73.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -27.59 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -32.52 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -82.36 -36.5 26.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.42 -34.39 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -33.89 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.26 -27.6 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.309 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.0 tp -79.64 -39.13 20.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.6 pp -70.94 -37.64 72.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 110.718 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.405 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -70.19 -47.63 60.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 111.334 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.72 -51.58 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.33 67.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -42.63 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -81.88 -8.95 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.676 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.234 0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.512 -179.795 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.777 0.322 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -134.19 127.72 32.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.4 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' HG21 ' A' ' 86' ' ' ILE . 2.8 tp60 -140.03 143.24 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 4.3 pt-20 -136.07 121.79 19.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.555 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -97.98 100.02 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.572 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -98.98 130.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.599 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' CD2' ' CD1' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.48 -160.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.624 179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.9 t 63.93 124.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tp -132.29 175.14 9.53 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.818 0.699 . . . . 0.0 111.216 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt 67.51 -67.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.72 -98.06 1.79 Allowed Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.938 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 176.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 110.888 -179.747 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.597 0.237 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.59 -29.02 22.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -57.39 -61.31 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -56.65 -37.18 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -70.28 -25.27 63.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.011 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' ND2' ' CD1' ' A' ' 104' ' ' ILE . 2.0 m120 -72.52 -34.33 67.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG11 ' CG ' ' A' ' 73' ' ' TYR . 12.3 t -79.22 -45.4 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 111.488 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.28 -36.72 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.27 -56.84 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -59.84 -45.57 91.99 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.806 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.79 -28.92 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -46.06 70.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.43 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.55 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 55.9 m-80 -65.19 -56.7 11.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mt -51.08 -58.04 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.121 0.486 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.89 -28.18 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.743 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -58.85 -35.91 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.563 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 16.7 m-85 -78.99 -37.23 39.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.749 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -75.06 -24.8 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -87.63 -33.39 18.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.222 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -52.14 3.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.911 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -106.49 9.62 31.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER 49.11 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.746 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.23 167.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.047 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -95.79 112.09 23.9 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -145.86 152.75 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER 63.46 105.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.054 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 tppt? -115.99 163.35 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 86' ' ' ILE . 20.0 tt -149.18 103.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.0 m -93.64 116.61 29.11 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CG ' HG11 ' A' ' 49' ' ' VAL . 25.0 p90 -110.1 147.7 33.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.137 0.494 . . . . 0.0 111.523 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -165.5 168.99 16.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.332 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.2 pp -114.24 137.62 46.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.3 t -132.45 -169.66 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.451 0.643 . . . . 0.0 110.754 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.414 ' OG1' ' CD2' ' A' ' 81' ' ' PHE . 2.6 p 63.13 130.31 0.03 OUTLIER Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.078 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.27 -24.92 28.47 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.605 2.203 . . . . 0.0 113.044 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 81' ' ' PHE . 3.5 mp -72.98 -7.76 10.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.832 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.1 t30 70.27 81.68 0.16 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.426 ' CZ ' ' HB ' ' A' ' 79' ' ' ILE . 22.1 m-85 -119.34 161.59 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 tp -92.21 99.62 12.38 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.774 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.6 m -100.84 95.93 6.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 73' ' ' TYR . 1.1 mm -92.94 129.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.229 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.599 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -124.58 88.03 2.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.908 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 71' ' ' ILE . 16.2 tt -84.74 102.57 2.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 123.47 0.481 . . . . 0.0 111.767 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.599 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.4 Cg_endo -87.69 117.72 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.987 2.458 . . . . 0.0 111.671 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.8 t -167.91 143.05 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.199 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.19 86.5 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -57.03 99.93 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.1 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.493 -1.23 . . . . 0.0 111.076 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -58.09 2.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.168 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -52.69 -28.56 22.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 55.85 27.29 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.42 -79.26 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.68 94.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 78.97 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.02 -26.07 22.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.042 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -55.84 -24.58 37.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.411 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -80.6 -37.22 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.862 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.84 -29.96 56.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.9 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.78 58.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 105' ' ' LEU . 8.6 tp -81.13 -37.63 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.42 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 4.5 pp -76.97 -37.21 55.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.817 0.341 . . . . 0.0 110.734 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -71.13 -48.75 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.19 -50.13 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.05 -28.57 64.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 45.8 tp -94.4 -16.45 23.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.328 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -55.28 -19.56 8.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.548 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.801 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -133.71 127.25 32.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.936 0.398 . . . . 0.0 111.485 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -147.67 141.85 26.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.609 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.58 137.12 41.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -133.56 114.13 13.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.426 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 1.1 pt -79.46 149.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.487 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 82' ' ' LEU . 2.5 tt -132.07 155.44 48.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.613 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t 71.59 132.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -52.99 1.11 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.897 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -167.07 97.83 0.52 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.809 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.39 -74.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.548 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.54 147.27 35.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.924 179.491 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.827 0.346 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.05 -27.27 2.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.479 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -54.18 -66.46 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.403 0.44 . . . . 0.0 111.092 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -31.02 64.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -76.51 -23.4 53.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -75.18 -36.8 61.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 t -76.08 -44.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.165 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 tp -59.98 -43.41 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.65 -54.5 30.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.62 -46.31 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.29 -31.04 65.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -35.49 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.521 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.45 -51.14 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.583 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 65.4 m-80 -59.83 -56.5 21.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -57.62 5.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.72 -28.64 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -36.82 70.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 18.8 m-85 -82.24 -33.04 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.588 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -73.34 -27.81 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -87.57 -26.94 22.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.322 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -97.58 -48.54 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.355 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -96.23 9.81 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.752 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 4.6 t80 51.17 26.49 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.242 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 149.15 26.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.27 115.39 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -128.54 168.64 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.65 127.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 151.72 35.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.464 HD12 HG22 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -145.15 126.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 111.417 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.402 ' N ' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -114.73 116.91 29.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.665 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.486 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . 3.8 p90 -111.47 154.65 24.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -161.28 152.5 18.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.343 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.64 154.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -122.02 110.31 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -81.62 -49.77 0.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.1 Cg_exo -47.12 -26.57 5.35 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.54 2.16 . . . . 0.0 113.09 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.2 mt -130.86 12.99 2.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 p30 43.28 30.98 0.34 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.078 0.466 . . . . 0.0 111.361 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.426 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 31.0 t80 -107.85 166.9 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.236 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 1.5 tp -122.15 136.84 54.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.944 0.402 . . . . 0.0 111.232 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.7 t -131.94 115.93 16.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.714 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 6.2 mm -112.03 93.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 111.471 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.459 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -84.63 85.55 7.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.089 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.43 ' HB ' HG12 ' A' ' 71' ' ' ILE . 15.7 tt -83.15 106.55 7.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.66 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -83.74 116.23 2.2 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.905 2.403 . . . . 0.0 111.883 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -160.23 143.31 13.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.287 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 45.5 tp -86.14 -16.6 37.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.33 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CD1' HD23 ' A' ' 97' ' ' LEU . 8.9 t80 63.42 125.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.96 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.671 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -57.23 13.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -57.9 -26.06 61.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.7 m120 53.42 27.71 6.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.252 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -162.48 -77.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -121.93 -175.07 3.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -167.18 -37.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.252 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 1.7 mp -87.99 -20.26 26.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.257 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -54.32 -26.35 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.31 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -83.23 -43.46 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.694 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.15 -26.65 59.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.048 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.9 -32.38 34.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.76 -28.68 55.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.274 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.1 pp -82.67 -38.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 106' ' ' HIS . 3.8 pp -78.14 -36.39 47.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.426 ' N ' HD11 ' A' ' 105' ' ' LEU . 21.1 t60 -71.35 -53.85 12.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.04 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -59.64 -30.95 69.09 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.928 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.029 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 tp -99.51 -0.81 39.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.861 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -72.35 0.31 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.322 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -179.861 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.412 ' HB2' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.197 0.522 . . . . 0.0 111.478 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -120.73 146.61 46.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -134.98 143.14 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.36 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.52 128.45 31.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.18 114.2 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 tt -77.74 109.0 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.7 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 82' ' ' LEU . 3.4 mt -100.78 128.98 46.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.228 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 t -115.71 104.25 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.272 0.558 . . . . 0.0 111.21 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.78 157.81 15.72 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.024 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.62 75.12 9.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.958 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.36 138.88 25.87 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.424 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.42 49.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.782 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.375 0 CA-C-O 120.782 0.325 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -86.6 -3.34 59.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.394 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -40.17 -57.53 1.68 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 111.965 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -53.86 51.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -60.19 -25.95 65.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.84 -41.38 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.368 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 HG12 ' CD1' ' A' ' 84' ' ' ILE . 62.1 t -61.34 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 mt -60.29 -37.18 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -50.01 14.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -55.3 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.91 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -81.9 -52.24 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -58.21 -44.5 88.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 71.2 m-20 -62.77 -56.56 16.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.619 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -48.04 -60.03 2.92 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.628 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.44 -27.54 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -36.45 73.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.747 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 4.3 m-85 -84.49 -35.45 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.22 -29.1 65.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -87.26 -32.76 19.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.92 -48.54 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.073 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -97.73 9.79 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.606 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 63.43 -72.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.4 OUTLIER -127.34 100.44 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.812 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.09 -178.94 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.17 104.73 10.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -173.47 139.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -137.24 140.31 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG12 ' CD1' ' A' ' 86' ' ' ILE . 30.0 mt -133.8 132.37 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 111.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.28 174.27 10.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.761 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.429 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -160.06 155.75 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -163.78 168.85 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 0.0 111.921 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.52 149.49 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.033 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.59 -177.55 6.56 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 111.275 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 70.37 142.42 0.09 OUTLIER Pre-proline 0 CA--C 1.518 -0.256 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.76 -31.51 10.75 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.701 2.268 . . . . 0.0 111.847 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' PHE . 8.1 mt -96.37 165.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.906 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.57 72.71 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.934 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ILE . 2.1 t80 -95.66 127.52 41.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.475 ' CB ' ' HB2' ' A' ' 33' ' ' LEU . 4.5 mm? -95.61 102.67 14.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.0 116.8 32.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 49' ' ' VAL . 5.0 mm -86.76 142.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.45 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -129.27 86.69 2.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.253 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 86' ' ' ILE . 5.3 tt -95.51 104.31 15.44 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.613 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -83.45 121.04 2.93 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 t -172.11 172.61 4.57 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.21 0.528 . . . . 0.0 112.123 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 tp -108.33 91.81 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.614 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 27' ' ' SER . 9.0 p90 -62.53 84.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 110.744 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -178.01 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -58.26 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.53 -23.69 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.28 29.68 5.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.7 mtp -128.55 -80.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.14 -62.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.9 mt 73.47 -60.35 0.53 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 mt -51.83 -23.94 5.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.437 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -28.62 1.7 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -57.42 3.81 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.84 0.352 . . . . 0.0 110.124 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.68 -43.1 84.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.572 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.79 71.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -25.34 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.8 mm -77.03 -44.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.42 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.5 pp -65.85 -34.96 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.758 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.24 -43.54 70.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.185 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.57 -29.39 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -30.16 41.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 0.0 111.13 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.27 -29.13 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.1 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -75.07 -6.95 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.598 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.105 -179.74 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.883 0.373 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 117.96 24.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.517 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -115.92 143.51 45.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.001 0.429 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.84 137.21 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.177 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mp -120.87 114.67 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 pt -78.04 119.61 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -106.05 -175.82 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.031 0.443 . . . . 0.0 110.895 179.795 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -144.23 119.06 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.52 147.64 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.93 177.15 8.24 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.22 0.533 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.0 135.62 7.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.38 121.89 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.688 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.17 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.537 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -56.95 -58.3 8.76 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.36 -23.05 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -74.9 -35.11 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.434 HG11 ' CB ' ' A' ' 73' ' ' TYR . 15.5 t -79.4 -42.33 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.5 tt -61.79 -36.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 111.012 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.74 -50.72 22.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -66.53 -50.35 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -28.16 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -78.27 -56.19 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.11 -36.0 67.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.431 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 70.9 m-20 -70.36 -42.65 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 8.4 mt -51.95 -61.66 2.12 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.059 0.456 . . . . 0.0 110.851 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.06 -27.82 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -59.23 -34.81 72.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.431 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.7 m-85 -80.22 -34.61 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -70.75 -28.36 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.013 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -88.03 -32.3 18.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.409 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 -51.54 4.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.94 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -104.08 9.61 36.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 45.54 -164.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.441 179.702 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.24 107.99 0.84 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 179.99 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 36.9 p90 -56.59 156.79 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.433 ' CB ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -81.06 -154.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.663 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' A' ' 87' ' ' PRO . 1.6 tttt -123.17 150.92 42.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.3 mt -117.54 144.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.278 0.561 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -138.33 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.227 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.434 ' CB ' HG11 ' A' ' 49' ' ' VAL . 2.5 p90 -160.07 153.89 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -149.92 160.76 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.0 tt -114.21 136.12 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 m -104.79 84.48 2.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.814 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -58.27 -61.67 7.07 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.456 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.6 Cg_endo -54.15 -24.38 33.13 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.465 2.11 . . . . 0.0 112.262 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.5 mm -92.07 -15.77 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 64.64 21.32 12.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.63 168.65 19.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 4.0 mm? -104.64 138.21 41.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.92 94.28 4.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.357 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 2.7 mm -83.03 133.23 29.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.336 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.517 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.3 m-85 -129.22 101.06 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.716 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.04 97.56 11.67 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 7.2 Cg_exo -72.77 105.89 2.01 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.587 2.191 . . . . 0.0 112.501 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.433 ' HA ' ' CB ' ' A' ' 69' ' ' ASP . 53.1 m -132.92 148.14 52.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.471 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 tp -105.02 15.54 27.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.4 t80 60.37 120.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.43 . . . . 0.0 110.733 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.88 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.44 136.34 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 42.46 30.08 0.19 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.587 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -54.42 -25.95 27.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.1 mtm -60.62 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.71 147.19 5.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 179.74 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -19.91 5.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.745 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -45.28 -27.85 0.72 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.056 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.09 -44.64 37.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.996 0.427 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.45 75.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.401 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -78.78 -29.32 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.893 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.92 -29.09 65.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.459 HD11 HG22 ' A' ' 104' ' ' ILE . 26.7 pt -84.72 -45.17 17.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.323 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.439 ' N ' HG13 ' A' ' 104' ' ' ILE . 2.9 pp -66.77 -33.87 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -76.5 -31.76 57.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.342 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.447 ' HA ' ' CE1' ' A' ' 110' ' ' HIS . 1.4 m-20 -62.34 -38.84 91.06 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.692 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.29 -14.67 37.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -63.21 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.01 0.434 . . . . 0.0 111.009 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 107' ' ' ASN . 2.0 p-80 -63.41 -15.69 58.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.427 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 134.25 35.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -134.4 143.39 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.26 137.18 42.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.277 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mt -107.64 148.84 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.648 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tp -109.96 124.67 66.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' CD1' HG13 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -123.03 154.9 37.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.797 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -148.23 117.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.138 0.494 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp -110.85 -165.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.862 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.99 130.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.02 27.85 3.32 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.663 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -94.92 97.19 9.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.215 0.531 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.801 0.334 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -38.4 87.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.724 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -70.37 -50.89 34.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttt -55.72 -53.17 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -23.85 64.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.339 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -70.89 -37.55 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.205 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.411 HG11 ' CD1' ' A' ' 73' ' ' TYR . 21.7 t -73.97 -48.18 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.194 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -35.23 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.172 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -43.12 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -72.41 -53.51 12.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.12 -28.77 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -78.32 -47.81 16.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -42.3 75.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 29.4 m-20 -64.91 -62.75 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.27 -55.73 4.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 3.0 mt-10 -55.32 -38.83 69.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -24.65 61.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.022 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 98.6 m-85 -82.47 -54.59 5.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 58' ' ' GLU . 8.4 p90 -85.32 -28.32 25.32 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.885 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -87.49 -37.55 16.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.514 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.69 -51.68 4.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.581 0.229 . . . . 0.0 111.471 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -90.09 9.66 27.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.706 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 43.24 33.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 155.92 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -108.63 91.67 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -150.85 163.08 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.82 92.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 6.6 mttt -108.21 156.34 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.426 ' HA ' HG12 ' A' ' 86' ' ' ILE . 2.5 mp -133.97 146.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.283 0.564 . . . . 0.0 111.859 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.32 133.24 32.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CD1' HG11 ' A' ' 49' ' ' VAL . 22.1 p90 -133.31 158.62 42.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -156.46 154.1 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mt -102.79 142.59 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.15 112.61 24.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.668 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -65.29 -61.8 5.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.505 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.0 Cg_endo -51.8 116.47 2.78 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.544 2.162 . . . . 0.0 112.571 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.0 mm 72.6 9.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.66 62.76 2.47 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.22 162.31 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.632 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 82' ' ' LEU . 3.1 mm? -122.64 108.89 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.21 116.74 32.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -115.82 131.33 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.478 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 4.9 m-85 -129.14 90.77 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -87.46 106.01 10.22 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.1 Cg_exo -79.75 111.79 2.81 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.722 2.281 . . . . 0.0 112.214 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.7 t -126.6 -177.15 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.35 -9.62 14.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.469 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 64.21 136.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.05 0.452 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.0 t70 70.34 25.41 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.8 81.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.611 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 58.89 24.39 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.007 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 p-10 -65.94 -31.21 72.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.1 mmm -70.71 -29.44 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.97 51.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -169.04 -61.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 tp -60.87 -29.58 69.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -32.91 70.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -49.57 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.81 91.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.834 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.15 -29.94 69.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -29.52 66.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.7 mt -76.25 -54.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.404 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 3.0 pp -57.55 -30.04 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.066 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -53.64 11.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.518 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.55 -44.36 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 110.985 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.55 -24.87 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tt -95.45 -32.68 12.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.09 -18.48 42.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.8 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.321 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 87' ' ' PRO . 5.7 ptpt -176.48 138.11 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -116.02 143.19 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -122.08 117.99 27.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.338 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' HB3' HD22 ' A' ' 105' ' ' LEU . 1.2 mp -95.54 145.13 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.589 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 pt -112.3 133.37 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.458 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HB3' ' CB ' ' A' ' 82' ' ' LEU . 2.6 tm? -115.05 146.58 41.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.212 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 t -123.52 107.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.361 0.6 . . . . 0.0 111.214 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.23 53.49 2.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.982 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -74.09 135.06 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.77 56.73 1.48 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.166 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -148.25 120.82 8.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 110.742 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.8 179.523 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 111.563 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -86.65 -35.1 19.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 0.0 111.001 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.7 -45.57 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.4 ptp -57.78 -45.41 86.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -67.61 -23.62 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -72.49 -41.55 65.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t -67.46 -49.05 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.7 tt -60.61 -39.73 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.77 -44.2 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -66.66 -47.69 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -30.65 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.66 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -78.22 -50.04 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -58.74 -33.12 69.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.596 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 77.7 m-20 -70.08 -49.19 53.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.703 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mt -49.75 -58.9 4.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 110.842 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.75 -30.43 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.779 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -36.46 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.7 m-85 -79.58 -34.73 40.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.9 t80 -77.39 -25.08 50.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.317 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -32.93 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.232 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -50.99 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -109.42 9.8 25.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.3 t80 47.35 29.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.737 0.304 . . . . 0.0 111.337 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 136.5 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -23.73 10.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.53 89.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.37 106.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -104.95 154.06 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.3 mt -138.22 142.28 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.092 0.472 . . . . 0.0 111.55 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.91 121.57 17.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.543 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . 8.0 p90 -127.0 153.09 46.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -163.22 168.82 20.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.3 mt -122.52 143.98 33.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.416 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 m -165.38 -171.52 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 81' ' ' PHE . 2.2 m 68.0 119.41 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.6 -15.6 37.78 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.469 2.113 . . . . 0.0 112.513 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.7 mt -93.73 31.63 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.473 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 52.43 69.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.222 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.408 ' CB ' ' HB ' ' A' ' 77' ' ' THR . 1.6 t80 -119.62 123.75 44.65 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 33' ' ' LEU . 1.9 tp -92.53 122.76 35.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.973 0.416 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.5 p -108.32 101.4 10.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.541 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 4.5 mm -103.72 123.14 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.495 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -119.71 85.8 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.416 ' O ' HG21 ' A' ' 86' ' ' ILE . 7.4 tt -83.33 105.87 6.2 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.237 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -83.59 118.09 2.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.118 2.545 . . . . 0.0 112.195 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 t -149.82 171.85 16.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.095 0.474 . . . . 0.0 111.774 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 4.6 mp -118.2 77.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 17.5 p90 -60.91 86.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 0.0 110.938 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -178.88 -44.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.788 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -50.6 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.68 -28.47 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.28 22.29 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.34 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 mmt -156.86 26.99 0.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.55 96.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 110.676 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.91 85.17 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.54 -17.8 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -20.77 24.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.394 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -70.62 -50.02 41.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.023 0.44 . . . . 0.0 110.149 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.74 86.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.611 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.03 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.81 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -40.84 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 6.7 mt -60.42 -49.29 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 3.9 pp -71.12 -48.29 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.411 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 56.5 t-80 -61.34 -52.01 66.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -58.35 -38.38 77.09 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -39.28 84.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.606 0.241 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 tt -81.37 -34.29 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -16.86 49.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.611 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.554 0.216 . . . . 0.0 111.161 -179.691 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 1.4 m . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 120.518 0.199 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -131.51 115.67 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -124.43 137.42 54.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -136.22 126.61 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.32 133.81 38.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 pt -87.67 96.23 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.57 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 82' ' ' LEU . 2.8 tt -112.34 159.91 18.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.421 HG23 ' CE1' ' A' ' 81' ' ' PHE . 45.1 t -144.26 119.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.623 . . . . 0.0 111.413 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.68 165.59 24.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.69 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.34 169.59 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.92 -75.9 1.07 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.391 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -78.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.591 0.234 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.936 0.398 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -24.51 60.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.079 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -55.89 -53.9 51.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -54.45 -35.52 63.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.071 0.463 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -72.37 -24.83 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.65 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -36.84 67.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.474 HG12 ' CB ' ' A' ' 73' ' ' TYR . 16.4 t -73.0 -49.59 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -27.44 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -45.1 34.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -76.08 -48.25 21.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.58 -28.54 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.998 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -44.45 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -38.75 85.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.579 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 86.9 m-20 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.567 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.55 -59.4 3.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.72 -29.62 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -36.85 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.3 m-85 -81.16 -33.09 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.492 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.8 t80 -68.54 -29.32 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.02 -27.12 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.3 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.33 -49.38 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.675 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.69 9.74 11.5 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.523 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 51.07 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.883 0.373 . . . . 0.0 111.204 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 123.37 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.76 -54.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -159.14 -177.33 6.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.009 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 70.08 119.53 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -147.53 164.91 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.451 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -136.32 136.25 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.314 0.578 . . . . 0.0 111.901 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -138.51 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.39 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.474 ' CB ' HG12 ' A' ' 49' ' ' VAL . 2.3 p90 -159.99 148.49 17.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 111.178 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -149.93 169.08 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.7 pp -135.35 151.29 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.805 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 m -164.78 -172.12 2.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 p 69.23 140.93 0.07 OUTLIER Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.79 -36.66 83.15 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.479 2.119 . . . . 0.0 112.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -8.48 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.65 83.96 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.205 0.526 . . . . 0.0 111.196 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.421 ' CE1' HG23 ' A' ' 34' ' ' VAL . 1.6 t80 -108.48 140.44 41.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.515 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -101.43 93.74 5.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.382 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.66 110.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.423 HG12 HD12 ' A' ' 82' ' ' LEU . 5.5 mm -98.66 116.5 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.408 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -112.18 95.59 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 13.4 tt -103.31 102.5 29.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.076 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 15.0 Cg_exo -68.79 133.25 26.87 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.579 2.186 . . . . 0.0 112.181 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.7 t -171.81 134.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.956 0.408 . . . . 0.0 111.37 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.0 mp -94.67 -20.26 19.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.977 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 t80 59.38 109.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.05 0.452 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 90' ' ' PHE . 27.1 t0 166.76 -43.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.247 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -16.08 15.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.279 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.406 ' OD1' ' CE1' ' A' ' 60' ' ' TYR . 3.0 m-20 -50.8 -42.19 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.92 19.65 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.94 81.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.794 0.33 . . . . 0.0 110.768 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.66 105.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -98.57 32.17 2.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.017 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.36 -30.6 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -62.65 -23.04 66.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.23 -32.23 55.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.412 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.81 -30.36 51.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -35.87 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.371 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 pp -76.51 -30.53 57.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 111.162 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -39.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -70.77 -33.89 71.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.42 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.31 -43.71 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.656 0.597 . . . . 0.0 110.815 179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.0 -46.96 85.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -34.71 74.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.87 -58.58 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -62.82 -30.24 71.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.806 0.336 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 139.37 34.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -137.86 138.97 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -135.61 137.21 41.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.34 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.16 148.89 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.5 128.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 2.6 mt -129.24 152.47 48.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.644 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.3 t -148.5 118.0 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.213 0.53 . . . . 0.0 111.552 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 170.22 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.783 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.97 111.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.64 -173.52 27.15 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.434 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -150.4 71.61 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.694 0.283 . . . . 0.0 110.882 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.917 0.389 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -26.57 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.023 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -58.15 -63.17 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.049 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -31.7 72.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.668 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -73.08 -26.73 61.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -73.07 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.499 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.5 t -75.59 -44.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.71 -33.65 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -73.68 -48.77 29.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -71.66 -49.61 38.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.53 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -81.37 -44.02 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -39.46 83.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 50.7 m-20 -70.09 -54.75 11.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.42 -54.66 13.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -61.09 -29.17 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -58.15 -36.47 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.638 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 49.2 m-85 -78.73 -43.52 25.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.696 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 65' ' ' PHE . 7.7 t80 -70.34 -21.8 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -87.74 -23.06 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.73 -46.01 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.931 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 7.35 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 61' ' ' PHE . 1.1 t80 34.84 83.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.3 OUTLIER 175.17 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.626 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER 37.84 91.99 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.077 0.465 . . . . 0.0 111.732 -179.629 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 93' ' ' ASN . 0.4 OUTLIER -95.66 41.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.173 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 179.84 138.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.19 157.84 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.535 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.8 mt -123.76 141.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.292 0.568 . . . . 0.0 111.828 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.32 165.43 26.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.31 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.499 ' HB3' HG11 ' A' ' 49' ' ' VAL . 38.7 p90 -146.18 160.64 41.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 0.0 111.486 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.12 126.33 12.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.742 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.1 tt -102.68 118.43 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.82 41.37 3.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 51.7 m -65.54 -55.91 21.67 Favored Pre-proline 0 N--CA 1.453 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 77' ' ' THR . 37.3 Cg_endo -66.05 -25.49 51.4 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.292 1.995 . . . . 0.0 112.175 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mm -86.94 -34.43 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.007 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -176.46 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -137.03 170.46 16.06 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.264 0.554 . . . . 0.0 112.175 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 75' ' ' ILE . 6.7 tp -97.58 114.02 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.249 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.1 p -125.63 133.68 52.14 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.462 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.485 ' CD1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -100.7 145.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -129.14 104.57 7.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.406 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 86' ' ' ILE . 5.5 tt -102.34 103.87 33.78 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -81.27 110.41 2.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.999 2.466 . . . . 0.0 112.69 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.0 t -122.7 106.83 11.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.566 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tp -50.98 -31.39 17.8 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 t80 63.56 134.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.141 0.496 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.89 -61.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.47 31.12 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.432 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 13.0 p-10 -98.51 -34.65 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.062 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 60.83 66.35 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.8 ttt 65.46 96.55 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.745 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -179.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.39 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.01 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -10.46 59.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 1.3 mtpt -55.69 -23.04 26.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.379 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -77.35 -51.87 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.851 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.55 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 99' ' ' LYS . 4.4 pp -76.18 -39.33 55.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.776 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -70.56 -21.99 62.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.006 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 16.1 mt -82.19 -43.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.042 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.57 -29.34 65.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -52.13 11.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -58.08 -37.14 73.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.77 -32.99 71.79 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -33.77 46.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 -179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.438 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.957 0.408 . . . . 0.0 110.768 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -84.46 117.7 23.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -118.99 143.29 47.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.692 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -132.61 131.03 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -102.41 141.28 35.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.679 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.5 124.42 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.307 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.16 160.97 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -153.31 119.42 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.033 0.444 . . . . 0.0 111.092 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.62 88.11 2.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.706 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -138.15 163.2 32.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.268 0.556 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.59 -43.43 1.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.828 -0.186 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 111.102 179.674 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -78.8 -3.11 42.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.588 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -54.54 -45.82 73.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -45.94 84.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -68.37 -23.67 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -71.4 -42.17 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.764 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.423 HG13 ' CB ' ' A' ' 73' ' ' TYR . 22.0 t -68.14 -50.0 62.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.4 tt -59.06 -29.92 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.741 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -75.7 -47.14 27.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -45.76 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.27 -30.25 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.769 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -78.5 -47.62 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.587 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.42 76.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.445 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 66.3 m-20 -66.71 -57.9 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.557 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mt -43.33 -55.59 3.99 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.174 0.511 . . . . 0.0 110.998 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.472 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 6.3 mt-10 -55.43 -36.91 67.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -26.18 66.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 93.0 m-85 -82.28 -51.58 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 58' ' ' GLU . 6.9 p90 -87.18 -30.1 21.27 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.936 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' GLU . 17.9 tttt -87.55 -36.38 17.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -97.23 -28.44 14.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.652 0.263 . . . . 0.0 111.586 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.66 9.65 19.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 45.68 98.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.602 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 137.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.01 171.78 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -117.52 92.14 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -178.94 148.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.178 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -143.0 159.48 42.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.1 mt -135.33 136.21 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.318 0.58 . . . . 0.0 111.88 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 168.12 20.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.151 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CB ' HG13 ' A' ' 49' ' ' VAL . 1.6 p90 -160.08 159.48 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.968 0.413 . . . . 0.0 111.647 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -151.57 154.32 36.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mt -103.41 130.21 54.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.14 106.94 18.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.621 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.96 141.66 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.354 0 CA-C-O 121.111 0.482 . . . . 0.0 110.481 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.17 -25.01 28.04 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.354 2.036 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -158.16 82.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.952 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -157.21 -83.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -136.7 169.81 17.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.422 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -120.32 133.07 55.52 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.48 0.487 . . . . 0.0 110.577 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.46 112.62 18.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 0.0 111.448 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.411 ' CD1' HG13 ' A' ' 49' ' ' VAL . 4.4 mm -98.24 134.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.448 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.435 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.2 m-85 -127.19 90.12 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.5 tt -91.7 106.5 17.21 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 2.0 Cg_endo -82.42 111.36 2.07 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.913 2.409 . . . . 0.0 112.462 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -129.76 146.86 51.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.926 0.393 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -112.08 85.85 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -59.03 85.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.516 0.674 . . . . 0.0 111.276 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -145.96 24.3 1.33 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.019 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.55 -68.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -14.52 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.933 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 18.61 5.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 166.33 89.42 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -54.35 145.45 17.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.064 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.97 67.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -12.4 58.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.277 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -22.4 26.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.264 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.85 -58.91 3.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.962 0.411 . . . . 0.0 110.226 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.8 66.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.77 -31.58 72.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.754 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -40.57 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.7 mm -58.11 -52.48 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.185 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.12 -42.5 99.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.985 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -45.66 89.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.787 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -58.54 -29.48 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.714 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.89 -35.34 67.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 mt -90.41 -27.1 19.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.53 -7.21 54.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.308 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.446 . . . . 0.0 111.025 -179.643 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.76 0.314 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.73 166.95 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.38 143.77 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.374 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.71 125.13 39.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.033 0.444 . . . . 0.0 111.488 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.7 148.23 36.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -113.22 142.13 26.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.37 158.79 42.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 t -153.9 120.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.314 0.578 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.1 135.64 47.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.038 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.77 124.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 110.939 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 -56.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.44 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.3 -61.71 1.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.817 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.846 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.804 0.335 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.94 -3.44 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.432 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.84 -52.96 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 ptm -58.62 -45.41 89.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.721 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -70.87 -20.9 62.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.66 -35.39 62.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' A' ' 84' ' ' ILE . 21.8 t -76.63 -43.35 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 tt -61.73 -35.73 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.726 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.21 -44.54 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.99 -46.92 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.36 -31.03 65.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.893 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -45.68 15.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -60.88 -34.37 74.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 72.7 m-20 -72.29 -49.61 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.451 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 mt -49.31 -59.19 3.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.39 -25.6 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.678 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -32.09 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.638 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.2 m-85 -86.31 -35.59 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.686 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.521 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.5 t80 -75.98 -32.7 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -88.15 -39.24 14.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.571 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.81 -52.31 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.947 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -100.23 9.5 42.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 8.2 t80 58.0 133.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.022 0.439 . . . . 0.0 111.382 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER 63.61 139.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.12 150.31 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -142.17 -46.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.03 116.02 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -107.35 157.01 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.256 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 86' ' ' ILE . 9.6 tt -139.9 144.35 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 0.0 111.86 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -129.39 117.05 19.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.442 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -121.05 153.83 36.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.588 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -151.32 153.07 34.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.3 141.53 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.935 0.397 . . . . 0.0 111.532 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.77 104.86 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -75.6 -50.33 3.45 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.895 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.3 Cg_exo -48.07 -32.88 19.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.273 1.982 . . . . 0.0 112.471 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.91 -14.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.99 30.35 11.86 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 111.101 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -121.6 146.98 46.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.24 118.39 36.21 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.038 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.2 m -108.71 133.33 52.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.43 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -133.82 126.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.067 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.486 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -129.41 92.74 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.151 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 86' ' ' ILE . 11.5 tt -86.16 105.49 7.6 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.888 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 4.1 Cg_endo -86.73 115.47 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.924 2.416 . . . . 0.0 111.85 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.9 t -152.67 178.8 9.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.033 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -123.34 100.06 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 29.8 p90 -69.05 87.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.278 0.561 . . . . 0.0 110.802 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.16 -68.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 mtp -62.17 -28.96 70.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.78 -36.58 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 54.95 23.63 5.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtp 175.84 78.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -77.31 143.81 38.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 tp -145.03 72.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -10.46 59.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -20.36 44.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.411 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -72.48 -48.41 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.992 0.425 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.75 86.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.618 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.5 -29.97 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.01 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.384 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 26.4 mt -70.12 -49.38 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.98 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.52 -32.63 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -69.49 -46.67 66.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -69.67 -31.06 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.01 -32.21 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.1 pp -99.98 -23.48 14.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.47 -6.64 31.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.778 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 111.944 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.718 0.294 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 126.41 54.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -134.1 143.39 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.44 137.07 41.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.04 133.74 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.61 107.82 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.194 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 5.4 mp -120.53 138.78 53.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' CG1' ' H ' ' A' ' 35' ' ' LEU . 2.3 t -102.98 -137.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.407 ' H ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -140.16 131.54 26.8 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.613 0.244 . . . . 0.0 110.794 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -66.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.659 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.54 -135.72 4.39 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 63.29 130.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.39 -27.39 22.8 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.778 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -56.99 -49.83 74.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -46.54 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.013 0.435 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -61.82 -27.94 69.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.201 0.524 . . . . 0.0 110.391 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.63 -40.76 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.687 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.425 HG12 ' CD1' ' A' ' 73' ' ' TYR . 24.5 t -71.28 -34.62 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.9 mt -61.16 -40.35 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -73.53 -45.2 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -71.67 -56.52 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.68 -28.91 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -79.28 -40.34 30.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -60.54 -41.87 95.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 29.4 m-20 -69.58 -48.56 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -57.55 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -28.36 69.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.58 72.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 24.3 m-85 -76.73 -42.76 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.329 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 7.1 t80 -64.68 -28.13 69.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.61 -23.83 24.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.725 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -41.28 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -108.92 9.6 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 39.8 32.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 111.605 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -141.89 -44.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.03 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 71.47 105.66 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CD2' ' HE2' ' A' ' 92' ' ' MET . 0.1 OUTLIER -117.59 174.98 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.789 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 60.2 170.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -145.1 158.58 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.054 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 72' ' ' SER . 17.1 mt -131.97 146.39 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.359 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -138.32 168.19 20.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.249 -179.738 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.425 ' CD1' HG12 ' A' ' 49' ' ' VAL . 5.9 p90 -158.72 152.81 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.48 168.99 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.164 0.507 . . . . 0.0 111.034 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.3 mt -128.53 158.41 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -165.7 -172.22 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 111.064 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 p 62.04 150.76 0.1 Allowed Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.36 -19.28 22.35 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.064 2.509 . . . . 0.0 112.955 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mm -89.92 13.25 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.961 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.7 85.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.52 127.99 55.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.408 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.414 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 16.9 tp -92.47 95.31 9.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.3 m -97.75 102.08 13.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.399 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' CD1' HG13 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -86.81 138.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.799 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.436 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 77.3 m-85 -129.25 94.26 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.839 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.402 ' CD1' HG12 ' A' ' 71' ' ' ILE . 9.5 tt -95.36 105.7 21.69 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.555 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 3.7 Cg_exo -76.28 111.28 3.23 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.588 2.192 . . . . 0.0 111.779 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -153.42 140.32 19.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.153 0.501 . . . . 0.0 111.149 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mp -96.99 -13.36 22.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.328 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 11.5 t80 63.72 128.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.071 0.462 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.59 -54.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.404 ' O ' ' CB ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -74.14 118.52 17.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.953 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 92' ' ' MET . 0.1 OUTLIER 79.58 -13.65 0.94 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.899 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 33.2 m-80 52.11 52.74 13.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.868 0.366 . . . . 0.0 111.202 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -174.89 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 57.44 23.59 9.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.407 HD21 ' CZ ' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 41.68 46.49 3.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.686 179.772 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -23.21 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -20.5 43.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -78.42 -50.6 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.61 -47.83 72.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.986 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 4.0 pp -70.83 -23.95 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.73 -40.38 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.201 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 105' ' ' LEU . 7.4 pt -67.28 -32.53 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.609 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 102' ' ' LEU . 4.7 pp -80.69 -39.74 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.407 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 1.6 t-80 -73.68 -50.81 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.27 -51.69 67.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -57.23 -31.57 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.4 tp -100.31 -0.4 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.709 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.99 -73.09 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 122.229 -0.294 . . . . 0.0 111.332 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.993 0.425 . . . . 0.0 111.17 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.711 0.291 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.4 138.63 51.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -131.38 133.87 45.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -137.69 143.58 41.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.38 137.24 42.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.296 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -109.85 111.99 23.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -74.26 92.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -78.8 166.1 22.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 t -154.72 122.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.737 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tp -120.85 -166.01 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.77 161.0 19.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.67 33.49 6.52 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.9 31.96 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.003 0.43 . . . . 0.0 110.523 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 mt -127.37 146.54 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -143.81 35.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.623 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 tp -176.51 99.72 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.9 m80 63.13 126.03 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.2 121.0 40.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -20.14 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.21 -59.29 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -57.03 -40.11 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -66.8 -25.77 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.35 -37.69 68.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.442 HG12 ' CG ' ' A' ' 73' ' ' TYR . 26.6 t -71.13 -43.87 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.238 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.447 ' CD1' ' CE1' ' A' ' 73' ' ' TYR . 34.7 mm -63.69 -37.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -71.3 -33.01 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.69 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.045 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.24 -32.73 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -83.76 -51.8 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.35 -39.01 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 60.7 m-20 -67.23 -47.79 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.424 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.02 -64.22 0.88 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.231 0.538 . . . . 0.0 110.592 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.82 -29.28 59.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.916 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -36.8 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 0.0 110.522 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.425 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 6.7 m-85 -79.06 -32.96 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.3 t80 -77.72 -29.55 51.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.268 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -40.98 13.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.05 -52.67 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.58 9.94 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.485 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.4 t80 68.11 -64.7 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.193 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -144.21 119.8 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.07 -166.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -139.86 93.85 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -177.8 125.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -113.16 154.13 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.2 mt -132.75 139.32 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.353 0.597 . . . . 0.0 112.155 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.49 172.8 12.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.238 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 2.3 p90 -159.99 165.49 31.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.046 0.45 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -159.45 159.01 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.483 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.8 mp -104.02 126.2 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.914 0.388 . . . . 0.0 111.341 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.36 84.67 2.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.547 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.05 130.28 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.595 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.94 -17.69 46.48 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.606 2.204 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.6 mp -114.83 32.75 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.814 0.34 . . . . 0.0 111.399 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -139.3 -108.96 0.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.682 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -137.06 168.21 20.03 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.969 0.414 . . . . 0.0 111.227 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -95.5 142.28 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.366 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.32 104.2 11.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.408 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.5 mm -97.41 132.28 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.198 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.475 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 26.7 m-85 -128.73 92.9 3.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.258 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.52 104.88 11.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -85.09 116.0 1.75 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.969 2.446 . . . . 0.0 112.023 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.4 t -133.3 142.99 48.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.89 0.376 . . . . 0.0 111.255 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 tp -75.96 -30.44 58.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 63.11 131.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.34 -41.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 ttt -131.97 34.83 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.786 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -105.17 -36.23 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 57.51 26.82 13.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 57.72 54.66 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.63 24.23 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mt -117.41 -25.4 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -12.48 60.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.381 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -40.0 71.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -38.5 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.38 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 110.61 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.961 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.5 mt -83.16 -45.35 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -45.34 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.329 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 102' ' ' LEU . 4.5 pp -72.36 -44.18 62.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.408 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 45.4 t-80 -59.48 -57.44 12.97 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.752 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.24 -32.27 62.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.779 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.66 -44.51 93.55 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.749 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 tp -99.8 -0.97 38.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -78.37 -72.16 0.39 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -87.17 -64.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.407 ' O ' ' CG1' ' A' ' 113' ' ' VAL . 0.1 OUTLIER 172.59 -63.43 0.01 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.828 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 112' ' ' TYR . 14.7 p 44.31 42.79 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.451 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.323 -0.563 0 CA-C-O 120.863 0.364 . . . . 0.0 110.832 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.6 m -125.49 127.52 46.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -102.26 139.45 37.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.154 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.72 139.27 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 110.917 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.41 135.7 40.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.068 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mp -111.96 144.13 41.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.64 102.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.519 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.1 tp -88.24 144.91 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.801 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.0 t 69.16 129.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.054 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -39.48 2.98 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -62.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.22 -51.8 0.62 Allowed Glycine 0 C--N 1.322 -0.227 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.219 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 46.01 -169.4 0.01 OUTLIER 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.012 0.434 . . . . 0.0 111.207 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.14 171.67 7.66 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 121.068 0.461 . . . . 0.0 110.464 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.09 125.67 52.7 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.053 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.73 -75.33 0.56 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -118.43 22.14 12.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.761 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m 54.1 34.55 20.25 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.094 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -57.48 -23.96 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 111.261 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -55.93 -51.6 67.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -30.8 68.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.851 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -76.26 -24.68 54.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.06 -36.65 66.91 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG11 ' CB ' ' A' ' 73' ' ' TYR . 21.3 t -75.25 -50.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -56.58 -28.75 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -75.38 -46.14 34.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.075 0.464 . . . . 0.0 110.678 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -73.03 -47.54 44.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.26 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.33 -45.14 49.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.758 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -57.77 -49.73 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 76.3 m-20 -57.22 -56.81 16.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -55.29 13.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.797 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -62.84 -29.53 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.731 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.55 -37.8 68.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 19.5 m-85 -79.24 -41.91 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.523 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.2 t80 -65.84 -25.8 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -23.37 24.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.325 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -43.21 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -109.09 9.6 26.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 42.64 31.08 0.27 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.782 0.325 . . . . 0.0 111.489 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -39.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 61' ' ' PHE . 12.8 tt0 75.76 81.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -93.14 164.85 13.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.46 154.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -133.83 156.86 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.692 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' ' 87' ' ' PRO . 33.8 mt -134.26 137.07 52.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.271 0.558 . . . . 0.0 111.76 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.24 164.09 30.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.19 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CB ' HG11 ' A' ' 49' ' ' VAL . 2.6 p90 -160.06 158.54 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.549 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -150.57 168.66 23.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.327 0.584 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -127.8 159.17 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.365 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.5 m -134.88 118.21 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.148 0.499 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.416 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -87.94 -52.92 0.38 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.612 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 77' ' ' THR . 59.3 Cg_exo -50.8 -28.17 22.45 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.662 2.241 . . . . 0.0 112.572 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.9 mt -106.09 -24.0 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.364 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 68.47 42.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -132.82 148.3 52.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.26 115.18 27.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.12 114.51 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.153 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.414 ' CD1' HG11 ' A' ' 49' ' ' VAL . 3.3 mm -108.84 131.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.688 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -129.14 92.94 3.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -98.19 107.11 39.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 91.9 Cg_endo -85.14 124.27 2.84 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.525 2.15 . . . . 0.0 112.551 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 90' ' ' PHE . 15.2 t -146.78 -162.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -30.99 5.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.43 ' CE1' HG22 ' A' ' 88' ' ' THR . 22.8 m-85 58.92 26.48 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -149.68 20.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -54.56 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.361 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -88.54 -3.88 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 65.97 59.27 0.71 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.83 41.34 2.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.567 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -93.39 52.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 tt -154.01 -48.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -59.11 -30.2 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -59.79 -30.85 69.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.76 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.85 80.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.954 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 44.5 mt -74.7 -32.4 62.15 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.035 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 mt -77.26 -36.99 53.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.891 0.377 . . . . 0.0 111.521 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -46.34 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.524 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.409 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -66.65 -42.81 86.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 111.044 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -62.94 -53.2 57.76 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 120.882 0.373 . . . . 0.0 110.61 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.24 -15.16 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.221 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.22 -66.46 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.34 -48.58 4.53 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.409 ' CD2' ' ND1' ' A' ' 106' ' ' HIS . 77.9 m-70 -59.47 -17.53 32.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.757 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -51.46 -64.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.82 -66.99 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.121 0.486 . . . . 0.0 111.011 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.0 p 43.72 33.83 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-O 121.28 0.562 . . . . 0.0 111.612 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 -179.642 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.757 0.313 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t 70.96 -66.01 0.31 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.777 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -115.3 124.62 51.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -128.23 141.53 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -135.51 137.27 41.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.076 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 128.58 55.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.14 130.08 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 23.0 mt -137.61 133.15 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 111.057 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 t -155.63 122.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.12 0.486 . . . . 0.0 111.225 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.6 tp -104.03 161.6 13.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.606 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 2.2 tptt -105.97 154.88 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.997 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.65 168.31 14.44 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.47 -54.05 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.57 113.72 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -121.63 -53.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 mp 63.88 -78.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -72.68 76.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -59.18 109.95 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -81.84 -16.9 49.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -54.23 -38.99 66.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -38.15 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.26 -23.42 60.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.15 -38.39 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.52 HG12 ' HB3' ' A' ' 73' ' ' TYR . 13.0 t -72.73 -47.35 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.14 -32.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.88 -44.35 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -72.88 -52.5 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.1 62.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -82.59 -45.73 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -60.16 -35.54 75.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 82.0 m-20 -73.9 -48.9 27.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.19 -55.1 16.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.54 -30.22 71.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -37.41 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.0 m-85 -78.31 -46.23 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.493 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.492 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -64.81 -24.12 67.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -87.83 -21.34 25.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.81 -42.8 7.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.152 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.63 9.59 11.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.2 t80 58.09 15.72 3.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.462 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER 162.2 146.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.517 0.327 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.21 155.93 25.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -98.58 81.74 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -169.84 117.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -121.54 155.7 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.48 142.55 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.153 0.502 . . . . 0.0 111.502 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.26 148.32 44.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.803 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.52 ' HB3' HG12 ' A' ' 49' ' ' VAL . 19.5 p90 -138.82 152.02 47.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.028 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.63 160.9 38.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 tt -131.1 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.28 -172.35 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m 65.15 138.92 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.7 -7.52 18.58 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.465 2.11 . . . . 0.0 112.795 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mt -96.82 29.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 53.91 67.38 1.02 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.112 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -104.12 120.0 40.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.693 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 19.9 tp -102.04 117.84 35.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 0.0 111.13 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.83 110.37 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.492 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -92.64 137.0 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 49.2 m-85 -125.1 96.43 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 11.7 tt -96.38 105.95 25.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.264 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.2 Cg_exo -74.79 119.75 5.83 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.687 2.258 . . . . 0.0 112.177 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 t -157.25 132.16 8.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.96 0.409 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -92.89 -14.71 27.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 63.83 133.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.172 0.51 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.8 -54.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 ttp -126.75 85.14 2.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -175.92 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 66.06 39.0 4.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.2 mtt 59.18 101.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.88 62.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.69 -45.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.003 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.18 -33.0 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.105 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -58.49 -29.61 66.36 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.009 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -76.16 -59.05 2.93 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.067 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -50.51 -49.84 54.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.842 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.8 -34.57 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.29 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -29.68 66.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 84.8 mt -63.69 -58.3 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 33' ' ' LEU . 3.3 tm? -66.28 -29.36 69.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -65.94 0.6 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.39 -29.9 66.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -71.3 -34.73 70.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.1 tp -83.84 -33.02 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -20.69 58.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -80.76 1.42 30.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.501 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 16.6 m-85 -121.81 -46.13 2.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.372 . . . . 0.0 110.806 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.4 p -73.9 64.05 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 121.338 0.59 . . . . 0.0 110.867 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.822 0.344 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.76 -165.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.743 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -175.8 165.59 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -149.77 143.47 25.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.403 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.75 137.25 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.658 -179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mp -106.16 149.09 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.795 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.25 122.4 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mp -124.52 149.91 46.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -156.02 121.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.912 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -62.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -148.98 -71.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.802 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.54 -98.75 0.13 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -116.61 144.49 44.33 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.8 86.38 0.09 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -160.87 101.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.06 -75.48 0.05 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 61.65 32.44 18.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -155.02 -46.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -65.37 -28.31 69.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.03 -60.02 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 ptm -57.45 -37.96 73.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.55 . . . . 0.0 110.829 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -27.07 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.689 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -68.75 -43.47 75.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 73' ' ' TYR . 28.3 t -65.88 -58.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -48.08 -31.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -72.58 -42.03 65.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.29 -55.4 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.01 -31.99 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -81.44 -42.42 20.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.81 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.381 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 57.2 m-80 -72.48 -44.57 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.476 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 16.0 mt -52.84 -60.09 3.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.141 0.496 . . . . 0.0 110.767 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.76 -31.23 69.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -56.26 -34.48 66.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.04 0.447 . . . . 0.0 110.424 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 57' ' ' LEU . 13.5 m-85 -77.09 -44.49 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.561 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.494 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 8.4 t80 -71.47 -20.68 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -87.62 -22.24 24.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -97.9 -43.31 7.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -119.54 9.54 11.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.5 t80 40.97 38.93 0.74 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 111.759 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -135.7 -47.21 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.953 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 63.78 98.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.22 44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.72 130.28 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.27 139.91 48.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.22 136.21 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 111.88 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 t -138.39 170.19 16.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.304 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.433 ' CG ' HG11 ' A' ' 49' ' ' VAL . 6.2 p90 -155.28 152.83 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 111.356 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -166.01 168.85 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 pt -114.06 174.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.44 172.18 2.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.0 p 62.12 146.27 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.411 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.48 -13.36 27.63 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.439 2.092 . . . . 0.0 112.224 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 tp -76.6 -3.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.727 0.299 . . . . 0.0 111.389 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.6 t30 73.46 50.23 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.03 133.66 33.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.656 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.35 98.93 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.55 97.84 9.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.407 ' CD1' HG12 ' A' ' 49' ' ' VAL . 1.5 mm -83.39 132.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.197 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.33 101.79 7.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.944 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 86' ' ' ILE . 5.5 tt -104.14 102.02 29.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -78.18 115.54 3.75 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.915 2.41 . . . . 0.0 111.966 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -159.92 -172.32 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -122.56 98.4 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 35.3 p90 -60.27 86.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -165.38 -64.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -52.53 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 48.5 m-20 -104.0 42.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.13 34.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.34 -36.3 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -169.69 98.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 93' ' ' ASN . 1.4 mp -144.08 -66.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -21.65 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -27.91 36.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.188 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.42 -54.15 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.439 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.17 -32.57 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mt -73.79 -33.07 64.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.36 -26.74 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 31.5 mm -80.5 -52.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.275 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.0 pp -56.87 -43.9 81.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.415 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -67.43 -37.64 83.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.557 179.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.52 -36.33 83.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.615 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.96 -41.46 91.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -30.4 56.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -79.2 -6.9 57.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.603 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.0 -26.12 3.99 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.642 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -131.29 -85.31 0.5 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.448 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.4 p 41.05 45.92 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.153 0.501 . . . . 0.0 111.637 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -179.741 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.615 0.245 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.8 167.83 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -138.06 119.08 14.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -115.93 143.22 45.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -135.36 137.25 42.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.154 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mp -117.03 115.79 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.06 125.02 39.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.14 179.51 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.0 t -155.12 120.65 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.97 98.12 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.924 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.8 -32.63 6.42 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.641 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -66.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.787 0.327 . . . . 0.0 110.755 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.15 155.07 31.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.775 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -98.86 31.68 2.88 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.629 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -147.74 119.02 7.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.812 0.339 . . . . 0.0 111.016 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 62.93 120.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -68.09 124.69 24.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.05 -23.51 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -53.49 -34.96 59.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 ttt -50.71 -65.43 0.56 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.812 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -56.6 -24.29 46.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -47.6 71.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.447 HG13 ' CD1' ' A' ' 73' ' ' TYR . 19.7 t -64.5 -35.81 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.461 HD11 HG23 ' A' ' 50' ' ' ILE . 46.2 mt -62.0 -42.93 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.782 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -74.13 -41.47 61.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -73.17 -57.85 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.5 -30.84 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -40.2 53.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -32.95 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 60.1 m-80 -71.73 -53.87 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.02 -57.58 5.59 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.84 -27.77 63.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.615 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD1' ' O ' ' A' ' 56' ' ' ASN . 37.5 m-85 -81.34 -29.43 34.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.664 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.6 t80 -80.07 -29.93 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.35 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -27.71 22.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.87 -46.77 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.684 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' LYS . 7.4 m170 -107.49 9.78 29.51 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.1 t80 64.05 -66.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.431 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -65.17 157.14 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.22 -169.19 2.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CE2' HG21 ' A' ' 88' ' ' THR . 1.0 OUTLIER -144.78 -159.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.32 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.337 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 18.7 tttt -116.48 167.15 11.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.006 0.431 . . . . 0.0 111.272 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.417 HG21 ' CG1' ' A' ' 86' ' ' ILE . 19.1 mt -128.78 148.58 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -138.19 165.25 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.23 -179.526 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.447 ' CD1' HG13 ' A' ' 49' ' ' VAL . 6.7 p90 -158.33 159.45 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.627 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -161.97 157.01 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.492 . . . . 0.0 111.363 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -117.15 140.06 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -115.53 91.5 3.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.68 144.11 0.07 OUTLIER Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.09 -27.22 8.49 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.276 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 mm -110.24 37.79 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.704 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -138.98 -109.89 0.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.564 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -137.07 169.81 17.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.983 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 mp -125.78 142.41 51.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.248 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -129.87 141.61 50.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 111.865 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.405 ' CD1' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -120.16 138.32 51.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.395 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -129.44 106.27 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.417 ' CG1' HG21 ' A' ' 71' ' ' ILE . 7.2 tt -106.83 101.06 35.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.448 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.406 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 10.3 Cg_exo -70.83 106.47 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.517 2.145 . . . . 0.0 111.763 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.41 HG21 ' CE2' ' A' ' 68' ' ' PHE . 3.1 m -159.93 171.36 19.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.975 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 3.1 tp -116.39 -5.77 11.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.45 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 19.1 p90 44.22 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 111.398 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -155.6 -43.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -71.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -23.75 26.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.1 p30 42.75 33.21 0.45 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.726 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -83.27 135.69 34.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 tp -169.2 -72.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.806 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 mt -88.02 -17.6 30.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.204 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -24.61 16.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -45.28 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.761 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.07 -32.37 74.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.024 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -27.42 42.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.54 -28.95 62.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.5 tp -84.76 -41.62 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.55 -33.75 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.045 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -77.1 -48.35 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -57.93 -38.81 76.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.61 -30.56 64.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 tt -95.15 -0.41 53.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.14 -30.8 34.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.12 -50.59 73.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 177.58 -69.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.082 0.467 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 14.4 p 43.61 38.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.548 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.332 -179.732 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.85 0.357 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -116.62 109.43 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -93.23 138.61 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.28 136.05 26.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -135.62 126.68 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.184 -179.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -101.91 149.01 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.731 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CG2' ' CE2' ' A' ' 81' ' ' PHE . 27.7 mm -110.88 91.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.237 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -78.57 141.99 37.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 0.0 110.682 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.1 t 65.13 132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.313 0.578 . . . . 0.0 110.946 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.81 -65.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.231 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -35.95 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.76 -76.32 0.41 Allowed Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.097 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.49 -73.72 0.07 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 111.129 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 119.19 30.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.104 0.478 . . . . 0.0 110.892 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -143.35 38.25 1.39 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.063 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tt -111.93 -32.66 6.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -90.46 -35.37 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.115 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 t 60.52 41.57 15.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -78.09 -4.52 47.77 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -56.14 -65.46 0.6 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.75 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.67 -27.92 69.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.67 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -66.17 -41.14 90.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 73' ' ' TYR . 22.0 t -67.95 -43.56 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.96 -36.64 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.063 0.458 . . . . 0.0 110.538 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -76.04 -52.18 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -66.53 -54.17 26.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.77 56.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.812 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -43.63 22.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.634 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -61.35 -31.08 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.314 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 49.4 m-80 -73.32 -49.0 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.588 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.27 -59.38 4.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -26.47 66.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.659 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.44 75.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.5 m-85 -80.92 -34.86 33.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.9 t80 -77.35 -25.24 50.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.21 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -87.39 -33.82 18.99 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.298 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -92.84 -50.88 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.19 9.75 29.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.588 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER 46.97 29.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.218 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.6 -175.59 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.788 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.02 143.18 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -151.64 35.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -166.67 158.74 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -128.97 147.7 50.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.1 mt -130.16 135.09 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 0.0 111.441 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.34 172.98 12.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.456 ' CD1' HG12 ' A' ' 49' ' ' VAL . 4.7 p90 -159.73 158.34 31.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.158 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.36 163.71 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.288 0.565 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -143.61 141.36 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.68 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.412 ' N ' ' CD1' ' A' ' 75' ' ' ILE . 0.7 OUTLIER -161.39 -164.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 p 67.49 141.49 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.6 -12.46 24.64 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.482 2.121 . . . . 0.0 112.834 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.89 19.43 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.271 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.21 87.75 0.05 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.575 0.226 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.453 ' CE2' ' CG2' ' A' ' 32' ' ' ILE . 4.3 t80 -125.47 122.67 37.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 33' ' ' LEU . 4.0 mm? -92.33 111.01 22.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.8 m -103.58 97.36 7.41 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.446 ' CD1' HG13 ' A' ' 49' ' ' VAL . 8.7 mm -84.05 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.018 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 25.8 m-85 -129.34 96.56 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.735 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 86' ' ' ILE . 4.7 tt -97.08 104.41 18.98 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.025 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 10.7 Cg_endo -90.23 118.69 0.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.983 2.455 . . . . 0.0 112.562 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 t -139.98 163.81 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 90' ' ' PHE . 4.3 mm? -90.17 -34.92 15.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.739 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 89' ' ' LEU . 31.5 t80 52.78 114.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.454 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.23 -77.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.803 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -20.71 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -49.67 -43.52 47.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 48.47 27.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.27 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtt -171.96 34.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.46 111.23 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.71 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.49 86.26 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.71 -10.18 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -56.21 -19.94 15.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.672 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.86 -50.19 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.54 81.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.589 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -33.92 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.656 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.46 -38.72 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.0 mt -59.15 -50.54 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER -65.04 -50.47 66.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.835 0.35 . . . . 0.0 110.39 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.4 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -57.56 -58.39 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 111.119 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -21.23 53.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -38.26 71.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.662 0.268 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.0 mt -99.92 -41.33 7.26 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.135 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.36 -27.81 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.18 -64.48 0.93 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.681 0.276 . . . . 0.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 176.73 -59.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 110.707 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 13.8 p 44.32 42.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.368 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.589 -179.732 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.73 0.3 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 70.92 -64.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.804 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 133.78 55.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -142.68 142.78 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.865 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -135.39 126.67 28.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.206 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mp -111.95 132.07 54.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -89.85 148.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD1' HG12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -139.88 157.02 46.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.3 t -154.77 121.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -179.98 7.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.192 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.17 -44.78 59.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.006 0.431 . . . . 0.0 110.998 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.25 31.43 2.22 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 114.0 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 110.735 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.18 172.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.75 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -94.94 79.86 3.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -150.42 125.76 10.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 32.46 4.72 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.943 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.31 -35.62 15.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -62.39 -34.77 77.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -57.76 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 mtp -59.84 -47.96 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -57.85 -29.18 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -70.43 -39.22 74.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.689 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG12 HG13 ' A' ' 84' ' ' ILE . 16.9 t -71.51 -54.7 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 tp -52.52 -30.25 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.88 -40.37 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -80.92 -53.86 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.04 -28.46 52.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -81.74 -40.89 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.779 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.34 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 80.8 m-20 -72.89 -47.25 47.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -56.91 7.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.974 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.5 -27.12 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -58.44 -36.53 73.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.4 m-85 -82.02 -34.44 29.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -25.49 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.5 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -44.16 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -102.14 9.6 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 43.15 31.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -151.58 174.94 12.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.018 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 tt0 -139.65 127.03 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -146.62 -46.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.19 108.23 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 7.7 mttp -103.96 158.48 16.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.413 HG12 ' CG1' ' A' ' 86' ' ' ILE . 11.1 mt -133.76 146.02 32.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.27 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.05 120.39 15.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.4 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 36.1 p90 -120.86 146.68 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.289 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -154.89 152.6 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.039 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 pt -102.77 153.53 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -133.47 97.68 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.983 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.65 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 11.8 t -74.37 -30.4 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.007 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 77' ' ' THR . 37.4 Cg_exo -56.96 -34.45 97.43 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.038 1.825 . . . . 0.0 112.245 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -112.29 -10.98 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.384 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 t30 66.76 41.34 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -136.52 155.31 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -105.2 128.18 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.6 t -121.43 109.83 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.128 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.421 HG13 HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -98.93 93.26 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.487 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.8 t80 -78.83 84.63 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.039 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.474 HD12 HG22 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.8 106.2 9.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.389 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.8 Cg_exo -78.7 113.88 3.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.831 2.354 . . . . 0.0 112.116 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -150.79 139.16 20.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.985 0.422 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.42 -21.75 18.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.742 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.2 t80 61.28 119.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.1 0.476 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.94 -51.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.63 -43.43 80.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -54.23 -33.15 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.9 t30 48.8 29.79 2.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.6 mtt -156.02 -79.8 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -177.18 -172.61 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -174.56 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.89 -23.16 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -54.12 -28.54 40.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.348 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -82.87 -38.63 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.75 -39.03 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 4.1 pp -74.99 -26.82 59.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.63 -46.71 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.096 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.414 ' CD1' ' N ' ' A' ' 105' ' ' LEU . 2.6 pp -63.28 -46.71 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.598 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 102' ' ' LEU . 3.5 pp -63.7 -41.34 98.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.708 0.29 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -67.48 -40.88 85.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.651 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -30.63 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.87 -37.34 55.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.92 -34.05 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -14.01 62.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -55.76 -30.46 61.3 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.713 0.292 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.12 -70.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.7 p 43.92 36.83 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.631 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.766 0.317 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.65 145.08 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -144.62 128.69 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -133.65 143.56 48.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -131.89 113.31 13.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.21 122.38 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.12 103.36 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -95.21 152.71 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.304 0.573 . . . . 0.0 110.854 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.7 t 70.28 129.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.081 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' O ' ' CZ ' ' A' ' 81' ' ' PHE . 0.3 OUTLIER -110.94 -69.48 0.87 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.989 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -153.08 93.01 1.68 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.108 0.48 . . . . 0.0 110.535 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.92 165.86 12.42 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.636 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.73 173.55 1.94 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt 69.38 -66.62 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.03 -56.62 2.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.287 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.22 -176.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.969 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -176.92 128.93 0.17 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.499 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -107.51 24.27 13.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.809 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -86.3 -3.3 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.412 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -52.75 -34.66 53.84 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.37 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 ptp -65.66 -35.94 82.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.886 0.374 . . . . 0.0 110.783 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -73.2 -25.11 60.63 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -37.68 65.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' HD13 ' A' ' 84' ' ' ILE . 7.9 t -74.76 -45.41 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.739 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.1 tt -59.18 -29.32 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.279 0.562 . . . . 0.0 110.602 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.49 -52.82 8.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.451 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -67.49 -34.36 76.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.479 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.23 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.46 -49.73 17.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -41.28 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.422 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 88.2 m-20 -64.35 -49.11 72.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.75 -62.0 1.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -57.46 -28.38 63.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -57.98 -36.78 73.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.1 m-85 -79.2 -37.85 37.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 3.9 t80 -70.41 -27.92 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -87.82 -29.28 21.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.531 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.8 -47.73 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' PHE . 87.9 m-70 -118.11 9.39 12.66 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' HIS . 14.5 t80 58.11 131.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.945 0.403 . . . . 0.0 111.542 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm 61.56 130.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.25 163.46 27.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -129.68 -44.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.017 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -91.83 146.05 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -117.44 152.55 34.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 86' ' ' ILE . 5.0 tt -137.69 118.37 16.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.932 0.396 . . . . 0.0 111.758 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -97.52 128.17 44.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.086 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.463 ' HB2' HD13 ' A' ' 84' ' ' ILE . 19.2 p90 -133.7 143.55 48.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.0 111.292 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 158.28 34.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.3 tt -103.18 126.76 57.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.697 0.76 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -87.95 116.31 26.03 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.08 144.93 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.561 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.0 -34.51 57.17 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.427 2.085 . . . . 0.0 112.375 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pt -155.79 75.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.009 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -146.03 -77.56 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.434 0.459 . . . . 0.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.409 ' CZ ' ' O ' ' A' ' 35' ' ' LEU . 6.5 m-85 -136.98 169.64 17.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 111.139 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 1.8 tm? -122.24 125.02 45.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.321 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.99 124.71 51.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.232 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -130.03 112.85 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.86 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 95.8 m-85 -117.27 111.96 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.851 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 71' ' ' ILE . 7.8 tt -101.22 99.92 12.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.59 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 84.9 Cg_endo -85.69 126.07 2.93 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.547 2.164 . . . . 0.0 112.148 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 t -162.54 135.12 5.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.02 -19.64 45.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.506 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 61.3 t80 65.12 131.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.43 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.35 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -22.94 45.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -95.13 25.85 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 2.3 t30 -56.0 -22.13 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.0 mtm -89.6 14.19 12.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.401 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.3 102.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.78 -3.88 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.386 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.27 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 111.299 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -24.5 8.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.76 -33.58 68.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.332 0.586 . . . . 0.0 110.638 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.38 -38.95 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.93 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.62 -31.83 68.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.533 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -45.1 19.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.733 0.301 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.3 tp -58.07 -39.11 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.141 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -75.23 -38.85 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.882 0.372 . . . . 0.0 111.003 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 1.4 t-80 -72.17 -59.95 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -53.2 -33.22 51.86 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.405 ' HA ' ' CG1' ' A' ' 113' ' ' VAL . 6.9 t70 -65.65 -63.28 1.13 Allowed 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 tp -66.34 -21.97 66.26 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -59.79 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -86.62 -64.99 1.06 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.338 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.409 ' O ' ' CG1' ' A' ' 113' ' ' VAL . 0.2 OUTLIER 168.97 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.018 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 112' ' ' TYR . 14.8 p 43.95 38.02 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.613 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.757 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.681 0.277 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t 74.0 -62.27 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.84 129.95 55.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -137.96 143.19 40.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -135.39 137.2 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.959 0.409 . . . . 0.0 111.665 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -115.36 110.99 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.468 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.55 126.77 36.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.397 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -131.06 -178.06 4.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.326 178.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.6 t -152.07 121.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.14 165.03 24.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.894 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -140.39 123.19 16.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.163 0.506 . . . . 0.0 110.651 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.24 102.34 1.25 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.736 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.37 95.85 4.97 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.016 0.436 . . . . 0.0 110.699 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 mt 62.73 -80.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.752 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -90.54 93.72 9.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.634 0.254 . . . . 0.0 110.587 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tt -80.19 65.87 5.49 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.712 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.08 25.49 11.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p 50.03 81.79 0.06 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.28 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.39 -28.79 23.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -53.2 -43.56 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.332 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -60.66 -29.96 69.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.214 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -34.15 68.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.416 ' CG1' ' HB3' ' A' ' 73' ' ' TYR . 3.7 t -66.51 -51.45 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.575 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.427 ' HB ' ' CZ ' ' A' ' 73' ' ' TYR . 1.7 tt -59.06 -30.26 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -47.76 57.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.185 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.7 -35.44 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.29 -29.71 70.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.831 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -43.0 36.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -59.41 -35.25 73.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.988 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 31.1 m-20 -71.3 -51.43 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.557 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 2.2 mt -52.77 -58.28 7.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.085 0.469 . . . . 0.0 110.755 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.2 -27.7 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -35.56 74.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.533 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.446 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 6.9 m-85 -78.58 -37.41 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.361 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.0 t80 -76.78 -20.29 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.021 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.77 -31.65 19.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -52.16 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.964 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -102.44 9.81 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.7 t80 47.18 29.18 1.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.679 0.276 . . . . 0.0 111.298 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.32 151.96 31.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -76.45 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 55.71 29.76 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.12 137.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 mtpm? -127.09 161.88 27.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.6 mt -138.92 144.73 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.182 0.515 . . . . 0.0 111.506 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.22 152.0 48.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.706 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.427 ' CZ ' ' HB ' ' A' ' 50' ' ' ILE . 11.8 p90 -143.98 147.09 33.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -164.22 168.78 18.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 pt -131.02 165.99 29.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.86 -171.93 0.94 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.69 141.8 0.06 OUTLIER Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.21 -7.11 20.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.33 2.02 . . . . 0.0 113.226 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.417 HD11 HG23 ' A' ' 79' ' ' ILE . 35.6 pt -95.12 23.68 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.227 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.19 49.47 17.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.998 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -86.53 131.22 34.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -101.14 131.89 46.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.96 0.41 . . . . 0.0 111.061 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.86 113.84 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.586 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -100.2 117.65 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.293 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.447 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 15.6 m-85 -102.44 84.83 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.751 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.421 ' O ' HG21 ' A' ' 86' ' ' ILE . 7.1 tt -93.74 105.22 15.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.77 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 2.9 Cg_exo -75.39 111.36 3.29 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.62 2.214 . . . . 0.0 111.678 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.3 m -148.9 140.48 23.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 3.2 mm? -70.15 -27.65 64.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.475 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.458 ' HB3' ' O ' ' A' ' 89' ' ' LEU . 40.1 t80 73.95 142.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 90' ' ' PHE . 11.4 t0 81.6 1.08 1.55 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.342 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -31.46 31.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.962 0.41 . . . . 0.0 110.57 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -103.35 1.56 32.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.226 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.36 60.97 0.16 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.019 0.437 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.7 mtt 59.18 41.18 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.46 86.38 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.66 -73.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -27.59 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -32.52 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -82.36 -36.5 26.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.42 -34.39 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -33.89 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.26 -27.6 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.309 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.0 tp -79.64 -39.13 20.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.6 pp -70.94 -37.64 72.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 110.718 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.405 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -70.19 -47.63 60.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 111.334 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.72 -51.58 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.33 67.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -42.63 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -81.88 -8.95 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.676 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.09 1.4 36.15 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.512 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -120.85 -34.78 3.48 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 120.726 0.298 . . . . 0.0 110.72 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.8 p -92.6 48.11 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.083 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.368 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m 71.37 -64.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -134.19 127.72 32.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.4 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' O ' HG21 ' A' ' 86' ' ' ILE . 2.8 tp60 -140.03 143.24 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 4.3 pt-20 -136.07 121.79 19.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.555 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -97.98 100.02 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.572 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -98.98 130.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.599 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' CD2' ' CD1' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.48 -160.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.624 179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 20.9 t 63.93 124.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tp -132.29 175.14 9.53 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.818 0.699 . . . . 0.0 111.216 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt 67.51 -67.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.72 -98.06 1.79 Allowed Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.938 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 176.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.0 tp 58.47 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -170.22 1.61 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.911 0.386 . . . . 0.0 110.999 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mp 64.13 -76.54 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.69 98.0 6.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.495 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -86.83 139.01 31.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.59 -29.02 22.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -57.39 -61.31 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -56.65 -37.18 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -70.28 -25.27 63.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.011 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' ND2' ' CD1' ' A' ' 104' ' ' ILE . 2.0 m120 -72.52 -34.33 67.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG11 ' CG ' ' A' ' 73' ' ' TYR . 12.3 t -79.22 -45.4 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 111.488 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.28 -36.72 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.27 -56.84 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -59.84 -45.57 91.99 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.806 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.79 -28.92 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -46.06 70.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.43 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.55 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 55.9 m-80 -65.19 -56.7 11.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mt -51.08 -58.04 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.121 0.486 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.89 -28.18 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.743 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -58.85 -35.91 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.563 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 16.7 m-85 -78.99 -37.23 39.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.749 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -75.06 -24.8 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -87.63 -33.39 18.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.222 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -52.14 3.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.911 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -106.49 9.62 31.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER 49.11 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.746 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.23 167.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.047 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -95.79 112.09 23.9 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -145.86 152.75 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.418 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER 63.46 105.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.054 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 tppt? -115.99 163.35 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 86' ' ' ILE . 20.0 tt -149.18 103.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.0 m -93.64 116.61 29.11 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.444 ' CG ' HG11 ' A' ' 49' ' ' VAL . 25.0 p90 -110.1 147.7 33.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.137 0.494 . . . . 0.0 111.523 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -165.5 168.99 16.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.332 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.2 pp -114.24 137.62 46.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.3 t -132.45 -169.66 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.451 0.643 . . . . 0.0 110.754 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.414 ' OG1' ' CD2' ' A' ' 81' ' ' PHE . 2.6 p 63.13 130.31 0.03 OUTLIER Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.078 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.27 -24.92 28.47 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.605 2.203 . . . . 0.0 113.044 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 81' ' ' PHE . 3.5 mp -72.98 -7.76 10.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.832 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.1 t30 70.27 81.68 0.16 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.426 ' CZ ' ' HB ' ' A' ' 79' ' ' ILE . 22.1 m-85 -119.34 161.59 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 tp -92.21 99.62 12.38 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.774 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.6 m -100.84 95.93 6.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 73' ' ' TYR . 1.1 mm -92.94 129.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.229 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.599 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -124.58 88.03 2.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.908 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 71' ' ' ILE . 16.2 tt -84.74 102.57 2.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 123.47 0.481 . . . . 0.0 111.767 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.599 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.4 Cg_endo -87.69 117.72 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.987 2.458 . . . . 0.0 111.671 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.8 t -167.91 143.05 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.199 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.19 86.5 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -57.03 99.93 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.1 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.493 -1.23 . . . . 0.0 111.076 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -58.09 2.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.168 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -52.69 -28.56 22.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 55.85 27.29 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.42 -79.26 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.68 94.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 78.97 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.02 -26.07 22.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.042 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -55.84 -24.58 37.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.411 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -80.6 -37.22 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.862 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.84 -29.96 56.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.9 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.78 58.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.418 HG21 ' N ' ' A' ' 105' ' ' LEU . 8.6 tp -81.13 -37.63 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.42 ' CD1' ' CD2' ' A' ' 33' ' ' LEU . 4.5 pp -76.97 -37.21 55.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.817 0.341 . . . . 0.0 110.734 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -71.13 -48.75 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.19 -50.13 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.05 -28.57 64.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' HG ' ' HB ' ' A' ' 113' ' ' VAL . 45.8 tp -94.4 -16.45 23.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.328 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -55.28 -19.56 8.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.548 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.76 1.45 17.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -143.89 -49.47 0.3 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.872 0.368 . . . . 0.0 111.238 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' A' ' 113' ' ' VAL . 14.4 p -61.66 102.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.278 0.561 . . . . 0.0 110.99 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.723 179.794 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.707 0.289 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 26' ' ' THR . 0.4 OUTLIER 83.69 -16.76 0.52 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.728 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -133.71 127.25 32.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.936 0.398 . . . . 0.0 111.485 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -147.67 141.85 26.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.609 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.58 137.12 41.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mt -133.56 114.13 13.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.426 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 1.1 pt -79.46 149.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.487 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 82' ' ' LEU . 2.5 tt -132.07 155.44 48.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.613 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 t 71.59 132.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -52.99 1.11 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.897 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -167.07 97.83 0.52 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.809 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.39 -74.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.548 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.54 147.27 35.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mp -135.57 -57.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.924 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -73.27 0.09 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.668 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -137.89 179.79 6.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -153.27 -67.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.951 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m 70.4 -62.57 0.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.05 -27.27 2.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.479 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -54.18 -66.46 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.403 0.44 . . . . 0.0 111.092 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -31.02 64.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -76.51 -23.4 53.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -75.18 -36.8 61.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 t -76.08 -44.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.165 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 tp -59.98 -43.41 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.65 -54.5 30.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.62 -46.31 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.29 -31.04 65.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -35.49 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.521 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.45 -51.14 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.583 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 65.4 m-80 -59.83 -56.5 21.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -57.62 5.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.72 -28.64 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -36.82 70.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 18.8 m-85 -82.24 -33.04 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.588 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -73.34 -27.81 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -87.57 -26.94 22.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.322 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -97.58 -48.54 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.355 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -96.23 9.81 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.752 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 4.6 t80 51.17 26.49 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.242 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 149.15 26.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.27 115.39 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -128.54 168.64 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.65 127.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 151.72 35.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.464 HG22 HD12 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -145.15 126.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 111.417 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.402 ' N ' HD11 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -114.73 116.91 29.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.665 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.486 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . 3.8 p90 -111.47 154.65 24.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -161.28 152.5 18.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.343 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.0 mp -106.64 154.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.18 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -122.02 110.31 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -81.62 -49.77 0.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.1 Cg_exo -47.12 -26.57 5.35 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.54 2.16 . . . . 0.0 113.09 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.2 mt -130.86 12.99 2.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 p30 43.28 30.98 0.34 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.078 0.466 . . . . 0.0 111.361 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.426 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 31.0 t80 -107.85 166.9 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.236 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.413 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 1.5 tp -122.15 136.84 54.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.944 0.402 . . . . 0.0 111.232 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.7 t -131.94 115.93 16.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.714 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 6.2 mm -112.03 93.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 111.471 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.459 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -84.63 85.55 7.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.089 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.43 ' HB ' HG12 ' A' ' 71' ' ' ILE . 15.7 tt -83.15 106.55 7.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.66 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -83.74 116.23 2.2 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.905 2.403 . . . . 0.0 111.883 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -160.23 143.31 13.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.287 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 45.5 tp -86.14 -16.6 37.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.33 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CD1' HD23 ' A' ' 97' ' ' LEU . 8.9 t80 63.42 125.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.96 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.671 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -57.23 13.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -57.9 -26.06 61.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.7 m120 53.42 27.71 6.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.252 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -162.48 -77.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -121.93 -175.07 3.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -167.18 -37.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.252 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 1.7 mp -87.99 -20.26 26.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.257 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -54.32 -26.35 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.31 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -83.23 -43.46 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.694 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.15 -26.65 59.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.048 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.9 -32.38 34.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.76 -28.68 55.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.274 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.1 pp -82.67 -38.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 106' ' ' HIS . 3.8 pp -78.14 -36.39 47.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.426 ' N ' HD11 ' A' ' 105' ' ' LEU . 21.1 t60 -71.35 -53.85 12.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.04 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -59.64 -30.95 69.09 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.928 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.029 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 tp -99.51 -0.81 39.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.861 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -72.35 0.31 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.322 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -86.91 -64.57 1.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.405 ' O ' ' CG1' ' A' ' 113' ' ' VAL . 0.4 OUTLIER 171.58 -55.69 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 -179.56 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 112' ' ' TYR . 11.7 p 43.59 47.04 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.24 0.574 0 CA-C-O 120.918 0.389 . . . . 0.0 110.912 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.716 0.293 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.412 ' HB2' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -136.34 -172.19 3.08 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.197 0.522 . . . . 0.0 111.478 -179.529 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -120.73 146.61 46.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -134.98 143.14 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.36 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.52 128.45 31.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.18 114.2 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 tt -77.74 109.0 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.7 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 82' ' ' LEU . 3.4 mt -100.78 128.98 46.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.228 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 t -115.71 104.25 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.272 0.558 . . . . 0.0 111.21 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.78 157.81 15.72 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.024 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.62 75.12 9.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.958 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.36 138.88 25.87 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.424 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.42 49.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.5 tp 62.35 42.22 9.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.782 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -149.52 125.85 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.559 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.45 99.15 9.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.043 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -154.14 42.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.09 124.41 36.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -86.6 -3.34 59.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.394 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -40.17 -57.53 1.68 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 111.965 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -53.86 51.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -60.19 -25.95 65.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.84 -41.38 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.368 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 HG12 ' CD1' ' A' ' 84' ' ' ILE . 62.1 t -61.34 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.5 mt -60.29 -37.18 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -50.01 14.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -55.3 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.91 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -81.9 -52.24 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -58.21 -44.5 88.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 71.2 m-20 -62.77 -56.56 16.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.619 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -48.04 -60.03 2.92 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.628 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.44 -27.54 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -36.45 73.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.747 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 4.3 m-85 -84.49 -35.45 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.22 -29.1 65.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -87.26 -32.76 19.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.92 -48.54 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.073 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -97.73 9.79 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.606 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 63.43 -72.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.4 OUTLIER -127.34 100.44 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.812 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.09 -178.94 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.17 104.73 10.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -173.47 139.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -137.24 140.31 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG12 ' CD1' ' A' ' 86' ' ' ILE . 30.0 mt -133.8 132.37 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 111.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.28 174.27 10.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.761 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.429 ' CG ' HG11 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -160.06 155.75 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -163.78 168.85 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 0.0 111.921 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.52 149.49 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.033 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.59 -177.55 6.56 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 111.275 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 70.37 142.42 0.09 OUTLIER Pre-proline 0 CA--C 1.518 -0.256 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.08 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.76 -31.51 10.75 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.701 2.268 . . . . 0.0 111.847 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' PHE . 8.1 mt -96.37 165.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.906 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.57 72.71 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.934 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ILE . 2.1 t80 -95.66 127.52 41.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.475 ' CB ' ' HB2' ' A' ' 33' ' ' LEU . 4.5 mm? -95.61 102.67 14.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.0 116.8 32.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 49' ' ' VAL . 5.0 mm -86.76 142.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.45 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -129.27 86.69 2.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.253 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 86' ' ' ILE . 5.3 tt -95.51 104.31 15.44 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.613 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -83.45 121.04 2.93 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 t -172.11 172.61 4.57 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.21 0.528 . . . . 0.0 112.123 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 tp -108.33 91.81 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.614 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' CE2' ' HB2' ' A' ' 27' ' ' SER . 9.0 p90 -62.53 84.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 110.744 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -178.01 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -58.26 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.53 -23.69 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.965 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.28 29.68 5.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.7 mtp -128.55 -80.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.14 -62.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.9 mt 73.47 -60.35 0.53 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.2 mt -51.83 -23.94 5.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.437 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -28.62 1.7 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -57.42 3.81 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.84 0.352 . . . . 0.0 110.124 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.68 -43.1 84.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.572 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.79 71.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -25.34 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.8 mm -77.03 -44.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.42 ' HB3' HD21 ' A' ' 33' ' ' LEU . 1.5 pp -65.85 -34.96 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.758 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.24 -43.54 70.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.185 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.57 -29.39 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -30.16 41.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 0.0 111.13 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.27 -29.13 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.1 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -75.07 -6.95 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.598 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -55.06 -63.63 1.09 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.105 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.04 -72.03 0.05 OUTLIER 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.825 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 14.5 p 43.06 43.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.718 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 C--O 1.238 0.452 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.721 -179.837 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 t -145.04 72.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 117.96 24.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.517 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -115.92 143.51 45.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.001 0.429 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.84 137.21 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.177 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mp -120.87 114.67 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 pt -78.04 119.61 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -106.05 -175.82 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.031 0.443 . . . . 0.0 110.895 179.795 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -144.23 119.06 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.52 147.64 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.93 177.15 8.24 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.22 0.533 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.0 135.62 7.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.38 121.89 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 68.94 -67.05 0.22 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.688 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.69 170.83 18.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.686 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.55 105.29 1.46 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.2 -34.71 5.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m 60.67 56.75 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.17 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.537 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -56.95 -58.3 8.76 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.36 -23.05 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -74.9 -35.11 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.434 HG11 ' CB ' ' A' ' 73' ' ' TYR . 15.5 t -79.4 -42.33 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.5 tt -61.79 -36.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 111.012 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.74 -50.72 22.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -66.53 -50.35 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.84 -28.16 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 mtmp? -78.27 -56.19 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.11 -36.0 67.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 70.9 m-20 -70.36 -42.65 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . 8.4 mt -51.95 -61.66 2.12 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.059 0.456 . . . . 0.0 110.851 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.06 -27.82 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -59.23 -34.81 72.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.431 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.7 m-85 -80.22 -34.61 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -70.75 -28.36 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.013 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -88.03 -32.3 18.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.409 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 -51.54 4.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.94 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -104.08 9.61 36.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 45.54 -164.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.441 179.702 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.24 107.99 0.84 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 179.99 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 36.9 p90 -56.59 156.79 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' CB ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -81.06 -154.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.663 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' A' ' 87' ' ' PRO . 1.6 tttt -123.17 150.92 42.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.3 mt -117.54 144.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.278 0.561 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -138.33 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.227 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.434 ' CB ' HG11 ' A' ' 49' ' ' VAL . 2.5 p90 -160.07 153.89 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -149.92 160.76 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.0 tt -114.21 136.12 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 m -104.79 84.48 2.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.814 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.443 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -58.27 -61.67 7.07 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.456 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.6 Cg_endo -54.15 -24.38 33.13 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.465 2.11 . . . . 0.0 112.262 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.5 mm -92.07 -15.77 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 64.64 21.32 12.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.63 168.65 19.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 4.0 mm? -104.64 138.21 41.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.92 94.28 4.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.357 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 2.7 mm -83.03 133.23 29.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.336 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.517 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.3 m-85 -129.22 101.06 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.716 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.04 97.56 11.67 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.517 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 7.2 Cg_exo -72.77 105.89 2.01 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.587 2.191 . . . . 0.0 112.501 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.433 ' HA ' ' CB ' ' A' ' 69' ' ' ASP . 53.1 m -132.92 148.14 52.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.471 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 tp -105.02 15.54 27.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.4 t80 60.37 120.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.43 . . . . 0.0 110.733 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.88 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.44 136.34 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 42.46 30.08 0.19 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.587 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -54.42 -25.95 27.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.1 mtm -60.62 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.71 147.19 5.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 179.74 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -19.91 5.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.745 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -45.28 -27.85 0.72 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.056 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.09 -44.64 37.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.996 0.427 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.45 75.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -78.78 -29.32 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.893 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.92 -29.09 65.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.459 HD11 HG22 ' A' ' 104' ' ' ILE . 26.7 pt -84.72 -45.17 17.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.323 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.439 ' N ' HG13 ' A' ' 104' ' ' ILE . 2.9 pp -66.77 -33.87 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -76.5 -31.76 57.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.342 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.447 ' HA ' ' CE1' ' A' ' 110' ' ' HIS . 1.4 m-20 -62.34 -38.84 91.06 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.692 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.29 -14.67 37.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -63.21 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.01 0.434 . . . . 0.0 111.009 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 107' ' ' ASN . 2.0 p-80 -63.41 -15.69 58.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.427 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -29.6 46.03 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 179.9 -56.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.634 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.8 p 43.27 48.88 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.542 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.84 179.808 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.762 0.315 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -101.86 102.81 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 134.25 35.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -134.4 143.39 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.26 137.18 42.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.277 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 mt -107.64 148.84 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.648 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 tp -109.96 124.67 66.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' CD1' HG13 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -123.03 154.9 37.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.797 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -148.23 117.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.138 0.494 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 tp -110.85 -165.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.862 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.99 130.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.02 27.85 3.32 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.663 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -94.92 97.19 9.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.215 0.531 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mt -117.69 -50.4 2.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.51 -49.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.222 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -134.85 116.25 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -176.5 69.84 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.1 p -105.93 30.45 5.83 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.727 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -38.4 87.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.724 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t-20 -70.37 -50.89 34.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttt -55.72 -53.17 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -23.85 64.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.339 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -70.89 -37.55 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.205 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.411 HG11 ' CD1' ' A' ' 73' ' ' TYR . 21.7 t -73.97 -48.18 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.194 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -57.33 -35.23 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.172 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -43.12 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -72.41 -53.51 12.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.12 -28.77 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -78.32 -47.81 16.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -42.3 75.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 29.4 m-20 -64.91 -62.75 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -44.27 -55.73 4.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 3.0 mt-10 -55.32 -38.83 69.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -24.65 61.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.022 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 98.6 m-85 -82.47 -54.59 5.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 58' ' ' GLU . 8.4 p90 -85.32 -28.32 25.32 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.885 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -87.49 -37.55 16.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.514 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.69 -51.68 4.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.581 0.229 . . . . 0.0 111.471 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -90.09 9.66 27.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.706 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 43.24 33.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 155.92 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -108.63 91.67 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -150.85 163.08 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.82 92.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 6.6 mttt -108.21 156.34 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.426 ' HA ' HG12 ' A' ' 86' ' ' ILE . 2.5 mp -133.97 146.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.283 0.564 . . . . 0.0 111.859 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.32 133.24 32.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CD1' HG11 ' A' ' 49' ' ' VAL . 22.1 p90 -133.31 158.62 42.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -156.46 154.1 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mt -102.79 142.59 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.15 112.61 24.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.668 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.452 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -65.29 -61.8 5.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.505 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.0 Cg_endo -51.8 116.47 2.78 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.544 2.162 . . . . 0.0 112.571 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.0 mm 72.6 9.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.66 62.76 2.47 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.22 162.31 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.632 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 82' ' ' LEU . 3.1 mm? -122.64 108.89 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.21 116.74 32.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -115.82 131.33 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.478 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 4.9 m-85 -129.14 90.77 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.519 HD11 HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -87.46 106.01 10.22 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.1 Cg_exo -79.75 111.79 2.81 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.722 2.281 . . . . 0.0 112.214 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.7 t -126.6 -177.15 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.35 -9.62 14.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.469 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 64.21 136.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.05 0.452 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.0 t70 70.34 25.41 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.8 81.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.611 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 58.89 24.39 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.007 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 p-10 -65.94 -31.21 72.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.1 mmm -70.71 -29.44 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.97 51.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -169.04 -61.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 tp -60.87 -29.58 69.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -32.91 70.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -49.57 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.07 -43.81 91.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.834 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.15 -29.94 69.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -29.52 66.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.7 mt -76.25 -54.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . 3.0 pp -57.55 -30.04 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.066 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -53.64 11.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.518 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.55 -44.36 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 110.985 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.55 -24.87 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tt -95.45 -32.68 12.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.09 -18.48 42.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.8 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -37.43 72.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.321 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -169.13 -49.98 0.02 OUTLIER 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.81 65.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.134 0.492 . . . . 0.0 111.224 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.009 0.433 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 p -176.77 -165.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 87' ' ' PRO . 5.7 ptpt -176.48 138.11 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.095 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -116.02 143.19 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -122.08 117.99 27.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.338 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' HB3' HD22 ' A' ' 105' ' ' LEU . 1.2 mp -95.54 145.13 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.589 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 pt -112.3 133.37 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.458 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HB3' ' CB ' ' A' ' 82' ' ' LEU . 2.6 tm? -115.05 146.58 41.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.212 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 t -123.52 107.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.361 0.6 . . . . 0.0 111.214 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.23 53.49 2.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.982 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -74.09 135.06 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.77 56.73 1.48 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.166 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -148.25 120.82 8.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 110.742 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp -137.81 37.68 2.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.8 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.25 -51.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.779 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.82 168.81 10.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -163.09 78.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.053 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.77 7.92 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.563 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -86.65 -35.1 19.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 0.0 111.001 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.7 -45.57 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.4 ptp -57.78 -45.41 86.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.1 mtpp -67.61 -23.62 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -72.49 -41.55 65.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.6 t -67.46 -49.05 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.7 tt -60.61 -39.73 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.77 -44.2 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -66.66 -47.69 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.75 -30.65 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.66 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -78.22 -50.04 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -58.74 -33.12 69.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.596 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 77.7 m-20 -70.08 -49.19 53.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.703 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mt -49.75 -58.9 4.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 110.842 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.75 -30.43 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.779 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -36.46 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.7 m-85 -79.58 -34.73 40.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.9 t80 -77.39 -25.08 50.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.317 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -32.93 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.232 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -50.99 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -109.42 9.8 25.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.3 t80 47.35 29.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.737 0.304 . . . . 0.0 111.337 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 136.5 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -23.73 10.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.53 89.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.37 106.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -104.95 154.06 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.3 mt -138.22 142.28 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.092 0.472 . . . . 0.0 111.55 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.91 121.57 17.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.543 ' HB2' ' CD1' ' A' ' 84' ' ' ILE . 8.0 p90 -127.0 153.09 46.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -163.22 168.82 20.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.3 mt -122.52 143.98 33.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.416 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 m -165.38 -171.52 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 81' ' ' PHE . 2.2 m 68.0 119.41 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.6 -15.6 37.78 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.469 2.113 . . . . 0.0 112.513 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.7 mt -93.73 31.63 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.473 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 52.43 69.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.222 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.408 ' CB ' ' HB ' ' A' ' 77' ' ' THR . 1.6 t80 -119.62 123.75 44.65 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 33' ' ' LEU . 1.9 tp -92.53 122.76 35.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.973 0.416 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.5 p -108.32 101.4 10.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.541 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 4.5 mm -103.72 123.14 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.495 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -119.71 85.8 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.416 ' O ' HG21 ' A' ' 86' ' ' ILE . 7.4 tt -83.33 105.87 6.2 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.237 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -83.59 118.09 2.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.118 2.545 . . . . 0.0 112.195 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 t -149.82 171.85 16.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.095 0.474 . . . . 0.0 111.774 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 4.6 mp -118.2 77.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 17.5 p90 -60.91 86.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 0.0 110.938 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -178.88 -44.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.788 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -50.6 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.68 -28.47 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.28 22.29 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.34 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 mmt -156.86 26.99 0.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.55 96.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 110.676 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.91 85.17 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.54 -17.8 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -20.77 24.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.394 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -70.62 -50.02 41.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.023 0.44 . . . . 0.0 110.149 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.74 86.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.611 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.6 tt -64.03 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.81 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -40.84 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 6.7 mt -60.42 -49.29 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 3.9 pp -71.12 -48.29 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.411 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 56.5 t-80 -61.34 -52.01 66.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -58.35 -38.38 77.09 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -39.28 84.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.606 0.241 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 tt -81.37 -34.29 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -16.86 49.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.611 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.41 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 2.8 mm-40 -80.44 -64.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.554 0.216 . . . . 0.0 111.161 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -164.57 -67.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 112' ' ' TYR . 12.2 p 43.87 44.77 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.216 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.805 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 27' ' ' SER . 29.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.682 0.277 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 26' ' ' THR . 1.4 m 86.62 -27.47 0.08 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.512 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -131.51 115.67 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -124.43 137.42 54.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -136.22 126.61 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.32 133.81 38.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 pt -87.67 96.23 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.57 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 82' ' ' LEU . 2.8 tt -112.34 159.91 18.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.421 HG23 ' CE1' ' A' ' 81' ' ' PHE . 45.1 t -144.26 119.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.623 . . . . 0.0 111.413 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.68 165.59 24.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.69 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.34 169.59 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.92 -75.9 1.07 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.391 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -78.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.591 0.234 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 57.76 -168.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.26 176.04 9.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 110.87 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 143.19 58.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 63.99 129.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.733 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.4 m -63.89 104.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -24.51 60.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.079 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -55.89 -53.9 51.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -54.45 -35.52 63.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.071 0.463 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -72.37 -24.83 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.65 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -36.84 67.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.474 HG12 ' CB ' ' A' ' 73' ' ' TYR . 16.4 t -73.0 -49.59 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.13 -27.44 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -45.1 34.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -76.08 -48.25 21.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.58 -28.54 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.998 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -44.45 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -38.75 85.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.579 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 86.9 m-20 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.567 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 mt -49.55 -59.4 3.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.72 -29.62 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -36.85 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.3 m-85 -81.16 -33.09 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.492 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.8 t80 -68.54 -29.32 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.02 -27.12 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.3 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.33 -49.38 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.675 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.69 9.74 11.5 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.523 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 51.07 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.883 0.373 . . . . 0.0 111.204 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 123.37 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.76 -54.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -159.14 -177.33 6.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.009 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 70.08 119.53 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -147.53 164.91 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.451 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -136.32 136.25 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.314 0.578 . . . . 0.0 111.901 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -138.51 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.39 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.474 ' CB ' HG12 ' A' ' 49' ' ' VAL . 2.3 p90 -159.99 148.49 17.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 111.178 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -149.93 169.08 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.7 pp -135.35 151.29 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.805 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 m -164.78 -172.12 2.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 p 69.23 140.93 0.07 OUTLIER Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.79 -36.66 83.15 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.479 2.119 . . . . 0.0 112.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -8.48 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.65 83.96 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.205 0.526 . . . . 0.0 111.196 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.421 ' CE1' HG23 ' A' ' 34' ' ' VAL . 1.6 t80 -108.48 140.44 41.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.515 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -101.43 93.74 5.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.382 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.66 110.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.423 HG12 HD12 ' A' ' 82' ' ' LEU . 5.5 mm -98.66 116.5 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.408 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -112.18 95.59 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 13.4 tt -103.31 102.5 29.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.076 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 15.0 Cg_exo -68.79 133.25 26.87 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.579 2.186 . . . . 0.0 112.181 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.7 t -171.81 134.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.956 0.408 . . . . 0.0 111.37 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.0 mp -94.67 -20.26 19.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.977 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 t80 59.38 109.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.05 0.452 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 90' ' ' PHE . 27.1 t0 166.76 -43.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.247 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -16.08 15.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.279 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' OD1' ' CE1' ' A' ' 60' ' ' TYR . 3.0 m-20 -50.8 -42.19 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.92 19.65 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.94 81.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.794 0.33 . . . . 0.0 110.768 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.66 105.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -98.57 32.17 2.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.017 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.36 -30.6 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -62.65 -23.04 66.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.23 -32.23 55.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.412 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.81 -30.36 51.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -35.87 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.371 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 pp -76.51 -30.53 57.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 111.162 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -75.02 -39.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -70.77 -33.89 71.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.42 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.31 -43.71 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.656 0.597 . . . . 0.0 110.815 179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.0 -46.96 85.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -34.71 74.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.87 -58.58 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -62.82 -30.24 71.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -22.24 52.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' O ' ' CG1' ' A' ' 113' ' ' VAL . 98.6 m-85 -137.06 -73.12 0.43 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 112' ' ' TYR . 7.5 p 42.25 57.65 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 111.411 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.758 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.897 0.38 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.63 114.42 19.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 139.37 34.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -137.86 138.97 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -135.61 137.21 41.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.34 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.16 148.89 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.5 128.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 2.6 mt -129.24 152.47 48.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.644 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.3 t -148.5 118.0 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.213 0.53 . . . . 0.0 111.552 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 170.22 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.783 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.97 111.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.64 -173.52 27.15 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.434 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -150.4 71.61 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.694 0.283 . . . . 0.0 110.882 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.25 -169.23 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -120.49 -42.53 2.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.311 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.45 -173.77 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 62.71 94.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.058 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 p -94.3 96.75 9.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.89 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -26.57 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.023 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -58.15 -63.17 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.049 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -31.7 72.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.668 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -73.08 -26.73 61.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -73.07 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.499 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.5 t -75.59 -44.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.71 -33.65 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -73.68 -48.77 29.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -71.66 -49.61 38.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.53 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -81.37 -44.02 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -39.46 83.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 50.7 m-20 -70.09 -54.75 11.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.42 -54.66 13.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -61.09 -29.17 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -58.15 -36.47 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.638 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 49.2 m-85 -78.73 -43.52 25.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.696 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 65' ' ' PHE . 7.7 t80 -70.34 -21.8 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -87.74 -23.06 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.73 -46.01 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.931 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 7.35 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 61' ' ' PHE . 1.1 t80 34.84 83.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.3 OUTLIER 175.17 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.626 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER 37.84 91.99 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.077 0.465 . . . . 0.0 111.732 -179.629 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 93' ' ' ASN . 0.4 OUTLIER -95.66 41.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.173 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 179.84 138.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.19 157.84 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.535 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.8 mt -123.76 141.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.292 0.568 . . . . 0.0 111.828 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.32 165.43 26.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.31 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.499 ' HB3' HG11 ' A' ' 49' ' ' VAL . 38.7 p90 -146.18 160.64 41.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 0.0 111.486 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.12 126.33 12.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.742 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.411 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.1 tt -102.68 118.43 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.82 41.37 3.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.476 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 51.7 m -65.54 -55.91 21.67 Favored Pre-proline 0 N--CA 1.453 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 77' ' ' THR . 37.3 Cg_endo -66.05 -25.49 51.4 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.292 1.995 . . . . 0.0 112.175 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mm -86.94 -34.43 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.007 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -176.46 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -137.03 170.46 16.06 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.264 0.554 . . . . 0.0 112.175 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 75' ' ' ILE . 6.7 tp -97.58 114.02 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.249 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.1 p -125.63 133.68 52.14 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.462 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.485 ' CD1' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -100.7 145.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -129.14 104.57 7.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.406 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 86' ' ' ILE . 5.5 tt -102.34 103.87 33.78 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -81.27 110.41 2.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.999 2.466 . . . . 0.0 112.69 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.0 t -122.7 106.83 11.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.566 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tp -50.98 -31.39 17.8 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 t80 63.56 134.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.141 0.496 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.89 -61.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.47 31.12 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.432 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 13.0 p-10 -98.51 -34.65 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.062 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 60.83 66.35 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.8 ttt 65.46 96.55 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.745 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -179.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.39 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.01 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -10.46 59.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 1.3 mtpt -55.69 -23.04 26.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.379 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -77.35 -51.87 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.851 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.55 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 99' ' ' LYS . 4.4 pp -76.18 -39.33 55.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.776 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -70.56 -21.99 62.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.006 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 16.1 mt -82.19 -43.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.042 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.57 -29.34 65.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -52.13 11.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -58.08 -37.14 73.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.77 -32.99 71.79 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -33.77 46.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.43 -64.24 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.408 ' O ' ' CG1' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -178.62 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.532 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.408 ' CG1' ' O ' ' A' ' 112' ' ' TYR . 8.4 p 43.61 51.18 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.691 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.718 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.828 0.347 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.438 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -135.75 81.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.768 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -84.46 117.7 23.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -118.99 143.29 47.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.692 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -132.61 131.03 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -102.41 141.28 35.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.679 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.5 124.42 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.307 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.16 160.97 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -153.31 119.42 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.033 0.444 . . . . 0.0 111.092 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.62 88.11 2.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.706 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -138.15 163.2 32.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.268 0.556 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.59 -43.43 1.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.828 -0.186 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.27 109.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 111.102 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.51 175.39 14.09 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -131.16 -61.11 0.94 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.764 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -60.03 -42.52 94.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.63 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.46 116.41 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 111.161 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -78.8 -3.11 42.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.588 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -54.54 -45.82 73.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -45.94 84.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -68.37 -23.67 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -71.4 -42.17 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.764 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG13 ' CB ' ' A' ' 73' ' ' TYR . 22.0 t -68.14 -50.0 62.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.4 tt -59.06 -29.92 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.741 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -75.7 -47.14 27.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -45.76 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.27 -30.25 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.769 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -78.5 -47.62 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.587 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.42 76.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.445 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 66.3 m-20 -66.71 -57.9 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.557 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mt -43.33 -55.59 3.99 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.174 0.511 . . . . 0.0 110.998 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.472 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 6.3 mt-10 -55.43 -36.91 67.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -26.18 66.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 93.0 m-85 -82.28 -51.58 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 58' ' ' GLU . 6.9 p90 -87.18 -30.1 21.27 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.936 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' GLU . 17.9 tttt -87.55 -36.38 17.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -97.23 -28.44 14.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.652 0.263 . . . . 0.0 111.586 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.66 9.65 19.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 45.68 98.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.602 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 137.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.01 171.78 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -117.52 92.14 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -178.94 148.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.178 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -143.0 159.48 42.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.1 mt -135.33 136.21 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.318 0.58 . . . . 0.0 111.88 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 168.12 20.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.151 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.423 ' CB ' HG13 ' A' ' 49' ' ' VAL . 1.6 p90 -160.08 159.48 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.968 0.413 . . . . 0.0 111.647 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -151.57 154.32 36.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mt -103.41 130.21 54.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.313 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.14 106.94 18.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.621 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.96 141.66 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.354 0 CA-C-O 121.111 0.482 . . . . 0.0 110.481 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.17 -25.01 28.04 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.354 2.036 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -158.16 82.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.952 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -157.21 -83.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -136.7 169.81 17.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.422 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -120.32 133.07 55.52 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.48 0.487 . . . . 0.0 110.577 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.46 112.62 18.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 0.0 111.448 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.411 ' CD1' HG13 ' A' ' 49' ' ' VAL . 4.4 mm -98.24 134.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.448 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.435 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.2 m-85 -127.19 90.12 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.5 tt -91.7 106.5 17.21 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 2.0 Cg_endo -82.42 111.36 2.07 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.913 2.409 . . . . 0.0 112.462 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -129.76 146.86 51.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.926 0.393 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -112.08 85.85 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -59.03 85.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.516 0.674 . . . . 0.0 111.276 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -145.96 24.3 1.33 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.019 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.55 -68.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -14.52 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.933 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 18.61 5.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 166.33 89.42 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -54.35 145.45 17.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.064 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.97 67.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -12.4 58.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.277 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -22.4 26.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.264 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.85 -58.91 3.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.962 0.411 . . . . 0.0 110.226 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.8 66.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.77 -31.58 72.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.754 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.84 -40.57 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.7 mm -58.11 -52.48 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.185 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.12 -42.5 99.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.985 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -45.66 89.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.787 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -58.54 -29.48 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.714 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.89 -35.34 67.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 mt -90.41 -27.1 19.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.53 -7.21 54.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.308 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -50.5 -64.42 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.446 . . . . 0.0 111.025 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 179.54 -68.29 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.085 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 14.5 p 44.15 39.22 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.372 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 110.724 -179.727 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -121.6 -174.28 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.73 166.95 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.38 143.77 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.374 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.71 125.13 39.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.033 0.444 . . . . 0.0 111.488 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.7 148.23 36.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -113.22 142.13 26.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.37 158.79 42.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 t -153.9 120.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.314 0.578 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.1 135.64 47.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.038 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.77 124.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 110.939 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 -56.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.44 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.3 -61.71 1.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.817 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -156.86 164.36 38.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -78.83 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.734 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.96 -174.02 0.05 OUTLIER 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -62.27 81.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.038 0.447 . . . . 0.0 110.903 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.52 132.97 52.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.982 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.94 -3.44 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.432 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -54.84 -52.96 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.0 ptm -58.62 -45.41 89.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.721 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -70.87 -20.9 62.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -74.66 -35.39 62.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.43 HG12 ' CD1' ' A' ' 84' ' ' ILE . 21.8 t -76.63 -43.35 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.3 tt -61.73 -35.73 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.726 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.21 -44.54 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.99 -46.92 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.36 -31.03 65.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.893 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -45.68 15.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -60.88 -34.37 74.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 72.7 m-20 -72.29 -49.61 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.451 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 mt -49.31 -59.19 3.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.39 -25.6 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.678 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -32.09 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.638 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.2 m-85 -86.31 -35.59 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.686 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.5 t80 -75.98 -32.7 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -88.15 -39.24 14.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.571 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.81 -52.31 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.947 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -100.23 9.5 42.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 8.2 t80 58.0 133.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.022 0.439 . . . . 0.0 111.382 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER 63.61 139.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.12 150.31 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -142.17 -46.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.03 116.02 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -107.35 157.01 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.256 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 ' HA ' ' HA ' ' A' ' 86' ' ' ILE . 9.6 tt -139.9 144.35 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 0.0 111.86 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -129.39 117.05 19.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.442 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -121.05 153.83 36.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.588 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -151.32 153.07 34.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.3 141.53 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.935 0.397 . . . . 0.0 111.532 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.77 104.86 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -75.6 -50.33 3.45 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.895 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.3 Cg_exo -48.07 -32.88 19.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.273 1.982 . . . . 0.0 112.471 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.91 -14.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.99 30.35 11.86 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 111.101 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -121.6 146.98 46.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -110.24 118.39 36.21 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.038 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.2 m -108.71 133.33 52.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.43 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -133.82 126.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.067 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.486 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -129.41 92.74 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.151 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 86' ' ' ILE . 11.5 tt -86.16 105.49 7.6 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.888 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 4.1 Cg_endo -86.73 115.47 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.924 2.416 . . . . 0.0 111.85 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.9 t -152.67 178.8 9.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.033 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -123.34 100.06 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 29.8 p90 -69.05 87.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.278 0.561 . . . . 0.0 110.802 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.16 -68.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 mtp -62.17 -28.96 70.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.78 -36.58 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 54.95 23.63 5.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtp 175.84 78.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -77.31 143.81 38.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 tp -145.03 72.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -10.46 59.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -20.36 44.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.411 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -72.48 -48.41 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.992 0.425 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.75 86.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.618 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.5 -29.97 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.01 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.384 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 26.4 mt -70.12 -49.38 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.98 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 pp -70.52 -32.63 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -69.49 -46.67 66.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -69.67 -31.06 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.01 -32.21 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.1 pp -99.98 -23.48 14.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.47 -6.64 31.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.778 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.69 1.45 14.58 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 111.944 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -167.08 -68.93 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.531 ' CG2' ' H ' ' A' ' 114' ' ' GLU . 9.5 p 35.53 -133.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.941 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.531 ' H ' ' CG2' ' A' ' 113' ' ' VAL . 25.3 tt0 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.793 0.33 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p 77.27 -59.15 0.48 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 126.41 54.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -134.1 143.39 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.44 137.07 41.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -105.04 133.74 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.61 107.82 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.194 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 82' ' ' LEU . 5.4 mp -120.53 138.78 53.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' CG1' ' H ' ' A' ' 35' ' ' LEU . 2.3 t -102.98 -137.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' H ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -140.16 131.54 26.8 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.613 0.244 . . . . 0.0 110.794 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -66.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.659 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.54 -135.72 4.39 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 63.29 130.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.03 39.25 1.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.56 148.89 37.34 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.61 157.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -68.06 -53.04 28.53 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -145.06 107.67 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.605 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.39 -27.39 22.8 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.778 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -56.99 -49.83 74.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -46.54 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.013 0.435 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -61.82 -27.94 69.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.201 0.524 . . . . 0.0 110.391 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.63 -40.76 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.687 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.425 HG12 ' CD1' ' A' ' 73' ' ' TYR . 24.5 t -71.28 -34.62 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.9 mt -61.16 -40.35 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -73.53 -45.2 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -71.67 -56.52 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.68 -28.91 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -79.28 -40.34 30.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -60.54 -41.87 95.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 29.4 m-20 -69.58 -48.56 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.24 -57.55 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -28.36 69.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.58 72.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 24.3 m-85 -76.73 -42.76 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.329 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 7.1 t80 -64.68 -28.13 69.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.61 -23.83 24.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.725 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -41.28 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -108.92 9.6 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 39.8 32.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 111.605 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -141.89 -44.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.03 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 71.47 105.66 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CD2' ' HE2' ' A' ' 92' ' ' MET . 0.1 OUTLIER -117.59 174.98 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.789 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 60.2 170.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -145.1 158.58 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.054 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 72' ' ' SER . 17.1 mt -131.97 146.39 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.359 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -138.32 168.19 20.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.249 -179.738 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.425 ' CD1' HG12 ' A' ' 49' ' ' VAL . 5.9 p90 -158.72 152.81 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.48 168.99 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.164 0.507 . . . . 0.0 111.034 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.3 mt -128.53 158.41 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -165.7 -172.22 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 111.064 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 p 62.04 150.76 0.1 Allowed Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.36 -19.28 22.35 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.064 2.509 . . . . 0.0 112.955 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mm -89.92 13.25 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.961 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.7 85.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.52 127.99 55.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.408 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.414 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 16.9 tp -92.47 95.31 9.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.3 m -97.75 102.08 13.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.399 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' CD1' HG13 ' A' ' 49' ' ' VAL . 0.5 OUTLIER -86.81 138.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.799 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.436 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 77.3 m-85 -129.25 94.26 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.839 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.402 ' CD1' HG12 ' A' ' 71' ' ' ILE . 9.5 tt -95.36 105.7 21.69 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.555 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 3.7 Cg_exo -76.28 111.28 3.23 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.588 2.192 . . . . 0.0 111.779 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -153.42 140.32 19.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.153 0.501 . . . . 0.0 111.149 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mp -96.99 -13.36 22.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.328 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 11.5 t80 63.72 128.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.071 0.462 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.59 -54.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.404 ' O ' ' CB ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -74.14 118.52 17.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.953 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 92' ' ' MET . 0.1 OUTLIER 79.58 -13.65 0.94 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.899 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 33.2 m-80 52.11 52.74 13.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.868 0.366 . . . . 0.0 111.202 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -174.89 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 57.44 23.59 9.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.407 HD21 ' CZ ' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 41.68 46.49 3.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.686 179.772 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -23.21 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -20.5 43.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -78.42 -50.6 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.61 -47.83 72.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.986 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 4.0 pp -70.83 -23.95 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.73 -40.38 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.201 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 105' ' ' LEU . 7.4 pt -67.28 -32.53 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.609 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 102' ' ' LEU . 4.7 pp -80.69 -39.74 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.407 ' N ' ' CD1' ' A' ' 105' ' ' LEU . 1.6 t-80 -73.68 -50.81 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.27 -51.69 67.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -57.23 -31.57 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.4 tp -100.31 -0.4 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.709 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.99 -73.09 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 122.229 -0.294 . . . . 0.0 111.332 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.66 -65.79 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.993 0.425 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 164.73 -38.34 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.067 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.93 124.32 33.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.199 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.4 . . . . 0.0 110.746 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -131.38 133.87 45.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.643 ' HB2' HG23 ' A' ' 86' ' ' ILE . 49.2 mm-40 -137.69 143.58 41.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.38 137.24 42.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.296 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 105' ' ' LEU . 2.1 mp -109.85 111.99 23.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -74.26 92.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.663 HD23 HD21 ' A' ' 45' ' ' ASN . 6.5 mp -78.8 166.1 22.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.708 ' O ' HD13 ' A' ' 109' ' ' LEU . 27.2 t -154.72 122.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.737 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.814 HD13 ' OD1' ' A' ' 45' ' ' ASN . 1.8 tp -120.85 -166.01 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.77 161.0 19.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.67 33.49 6.52 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.9 31.96 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.003 0.43 . . . . 0.0 110.523 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -20.14 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.814 ' OD1' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -54.21 -59.29 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.151 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -57.03 -40.11 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -66.8 -25.77 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -72.35 -37.69 68.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.782 HG11 ' HB3' ' A' ' 73' ' ' TYR . 26.6 t -71.13 -43.87 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.238 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 73' ' ' TYR . 34.7 mm -63.69 -37.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -71.3 -33.01 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.831 ' ND2' HD13 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -88.69 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.045 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.24 -32.73 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -83.76 -51.8 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.35 -39.01 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 60.7 m-20 -67.23 -47.79 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.424 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.02 -64.22 0.88 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.231 0.538 . . . . 0.0 110.592 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.82 -29.28 59.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.916 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -36.8 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 0.0 110.522 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.732 ' CE1' HD22 ' A' ' 97' ' ' LEU . 6.7 m-85 -79.06 -32.96 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.3 t80 -77.72 -29.55 51.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.268 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -40.98 13.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.05 -52.67 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.58 9.94 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.485 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.4 t80 68.11 -64.7 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.193 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -144.21 119.8 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.07 -166.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -139.86 93.85 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD2' HD12 ' A' ' 97' ' ' LEU . 8.1 t70 -177.8 125.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -113.16 154.13 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.401 HG12 ' CG1' ' A' ' 86' ' ' ILE . 12.2 mt -132.75 139.32 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.353 0.597 . . . . 0.0 112.155 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.49 172.8 12.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.238 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.866 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.3 p90 -159.99 165.49 31.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.046 0.45 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -159.45 159.01 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.483 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.8 mp -104.02 126.2 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.914 0.388 . . . . 0.0 111.341 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.36 84.67 2.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.547 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.05 130.28 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.595 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.94 -17.69 46.48 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.606 2.204 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 79' ' ' ILE . 1.6 mp -114.83 32.75 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.814 0.34 . . . . 0.0 111.399 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -139.3 -108.96 0.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.682 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -137.06 168.21 20.03 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.969 0.414 . . . . 0.0 111.227 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 33' ' ' LEU . 4.6 mm? -95.5 142.28 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.366 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.32 104.2 11.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 73' ' ' TYR . 3.5 mm -97.41 132.28 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.198 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.473 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 26.7 m-85 -128.73 92.9 3.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.258 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -91.52 104.88 11.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -85.09 116.0 1.75 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.969 2.446 . . . . 0.0 112.023 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.4 t -133.3 142.99 48.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.89 0.376 . . . . 0.0 111.255 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 tp -75.96 -30.44 58.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 63.11 131.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.34 -41.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 ttt -131.97 34.83 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.786 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.544 ' ND2' HD11 ' A' ' 97' ' ' LEU . 20.1 m120 -105.17 -36.23 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 57.51 26.82 13.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 57.72 54.66 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -128.63 24.23 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 ' CE1' ' A' ' 60' ' ' TYR . 9.6 mt -117.41 -25.4 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -12.48 60.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.381 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.549 ' O ' HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -55.55 -40.0 71.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -38.5 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.38 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 110.61 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.961 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 99' ' ' LYS . 3.5 mt -83.16 -45.35 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.831 HD13 ' ND2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -59.57 -45.34 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.329 -179.649 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -72.36 -44.18 62.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.755 ' N ' HD12 ' A' ' 105' ' ' LEU . 45.4 t-80 -59.48 -57.44 12.97 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.752 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.24 -32.27 62.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.779 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.66 -44.51 93.55 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.749 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 34' ' ' VAL . 3.0 tp -99.8 -0.97 38.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -78.37 -72.16 0.39 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -179.79 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -102.26 139.45 37.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.154 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.72 139.27 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 110.917 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.41 135.7 40.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.068 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.547 HD13 ' HB1' ' A' ' 101' ' ' ALA . 1.2 mp -111.96 144.13 41.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.64 102.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.519 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.857 HD23 ' HG ' ' A' ' 82' ' ' LEU . 5.1 tp -88.24 144.91 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.81 ' HA ' HD22 ' A' ' 109' ' ' LEU . 18.0 t 69.16 129.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.054 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -39.48 2.98 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -62.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.22 -51.8 0.62 Allowed Glycine 0 C--N 1.322 -0.227 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.219 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 46.01 -169.4 0.01 OUTLIER 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.012 0.434 . . . . 0.0 111.207 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.223 -0.302 0 CA-C-O 121.068 0.461 . . . . 0.0 110.464 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -57.48 -23.96 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 111.261 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -55.93 -51.6 67.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -30.8 68.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.851 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.501 ' HA ' HG22 ' A' ' 50' ' ' ILE . 3.3 mmmp? -76.26 -24.68 54.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.06 -36.65 66.91 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 84' ' ' ILE . 21.3 t -75.25 -50.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.0 tt -56.58 -28.75 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -75.38 -46.14 34.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.075 0.464 . . . . 0.0 110.678 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -47.54 44.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.26 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.33 -45.14 49.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.758 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -57.77 -49.73 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 76.3 m-20 -57.22 -56.81 16.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.641 HD21 ' HA ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -49.4 -55.29 13.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.797 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -62.84 -29.53 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.731 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.55 -37.8 68.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 19.5 m-85 -79.24 -41.91 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.523 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.2 t80 -65.84 -25.8 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -23.37 24.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.325 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -43.21 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -109.09 9.6 26.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 42.64 31.08 0.27 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.782 0.325 . . . . 0.0 111.489 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -39.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.604 ' CG ' HD12 ' A' ' 57' ' ' LEU . 12.8 tt0 75.76 81.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -93.14 164.85 13.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.46 154.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.641 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -133.83 156.86 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.692 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.576 HD11 HD11 ' A' ' 97' ' ' LEU . 33.8 mt -134.26 137.07 52.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.271 0.558 . . . . 0.0 111.76 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.24 164.09 30.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.19 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.866 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.6 p90 -160.06 158.54 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.549 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -150.57 168.66 23.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.327 0.584 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -127.8 159.17 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.365 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.5 m -134.88 118.21 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.148 0.499 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.416 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -87.94 -52.92 0.38 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.612 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 77' ' ' THR . 59.3 Cg_exo -50.8 -28.17 22.45 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.662 2.241 . . . . 0.0 112.572 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.9 mt -106.09 -24.0 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.364 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 68.47 42.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -132.82 148.3 52.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.857 ' HG ' HD23 ' A' ' 33' ' ' LEU . 4.3 mm? -92.26 115.18 27.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.12 114.51 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.153 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 73' ' ' TYR . 3.3 mm -108.84 131.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.688 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -129.14 92.94 3.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -98.19 107.11 39.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.471 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 91.9 Cg_endo -85.14 124.27 2.84 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.525 2.15 . . . . 0.0 112.551 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.451 HG21 ' CE1' ' A' ' 90' ' ' PHE . 15.2 t -146.78 -162.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -30.99 5.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CE1' HG21 ' A' ' 88' ' ' THR . 22.8 m-85 58.92 26.48 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -149.68 20.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -54.56 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.361 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -88.54 -3.88 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 65.97 59.27 0.71 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.83 41.34 2.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.567 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -93.39 52.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.576 HD11 HD11 ' A' ' 71' ' ' ILE . 4.0 tt -154.01 -48.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 31' ' ' LEU . 1.3 mm? -59.11 -30.2 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -59.79 -30.85 69.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.76 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.547 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -60.9 -36.85 80.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.954 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.541 ' CD2' HD23 ' A' ' 31' ' ' LEU . 44.5 mt -74.7 -32.4 62.15 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.035 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 mt -77.26 -36.99 53.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.891 0.377 . . . . 0.0 111.521 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.09 -46.34 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.524 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -66.65 -42.81 86.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 111.044 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.834 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -62.94 -53.2 57.76 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 120.882 0.373 . . . . 0.0 110.61 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -61.24 -15.16 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.221 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.22 -66.46 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.81 HD22 ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -100.34 -48.58 4.53 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -59.47 -17.53 32.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.757 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.084 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.747 0.308 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -115.3 124.62 51.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.661 ' HB3' HG23 ' A' ' 86' ' ' ILE . 2.3 tp60 -128.23 141.53 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -135.51 137.27 41.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.076 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -109.02 128.58 55.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.589 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.5 pp -73.14 130.08 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.936 HD22 ' HB2' ' A' ' 105' ' ' LEU . 23.0 mt -137.61 133.15 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 111.057 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 t -155.63 122.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.12 0.486 . . . . 0.0 111.225 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.541 ' HA ' HD13 ' A' ' 109' ' ' LEU . 1.6 tp -104.03 161.6 13.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.606 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -105.97 154.88 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.997 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.65 168.31 14.44 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.47 -54.05 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.46 0.066 0 CA-C-O 120.783 0.325 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -81.84 -16.9 49.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.537 HD21 HD22 ' A' ' 35' ' ' LEU . 1.8 m120 -54.23 -38.99 66.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -38.15 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -73.26 -23.42 60.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.762 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.468 ' OD1' HG23 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -74.15 -38.39 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 73' ' ' TYR . 13.0 t -72.73 -47.35 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.841 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.14 -32.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.88 -44.35 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.671 ' CB ' HD11 ' A' ' 104' ' ' ILE . 9.7 m-80 -72.88 -52.5 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.1 62.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -82.59 -45.73 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -60.16 -35.54 75.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 82.0 m-20 -73.9 -48.9 27.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -50.19 -55.1 16.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.54 -30.22 71.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -37.41 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.0 m-85 -78.31 -46.23 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.493 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -64.81 -24.12 67.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -87.83 -21.34 25.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.81 -42.8 7.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.152 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.63 9.59 11.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.506 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.2 t80 58.09 15.72 3.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.462 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER 162.2 146.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.517 0.327 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.21 155.93 25.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -98.58 81.74 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -169.84 117.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -121.54 155.7 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 97' ' ' LEU . 3.0 mp -135.48 142.55 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.153 0.502 . . . . 0.0 111.502 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.26 148.32 44.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.803 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.803 ' HB3' HG11 ' A' ' 49' ' ' VAL . 19.5 p90 -138.82 152.02 47.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.028 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.63 160.9 38.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 tt -131.1 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.28 -172.35 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.4 m 65.15 138.92 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' A' ' 77' ' ' THR . 73.3 Cg_endo -75.7 -7.52 18.58 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.465 2.11 . . . . 0.0 112.795 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 79' ' ' ILE . 3.0 mt -96.82 29.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 111.229 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 53.91 67.38 1.02 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.112 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -104.12 120.0 40.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.693 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 19.9 tp -102.04 117.84 35.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 0.0 111.13 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.83 110.37 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.781 HD11 ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -92.64 137.0 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 49.2 m-85 -125.1 96.43 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.776 HD11 HD13 ' A' ' 97' ' ' LEU . 11.7 tt -96.38 105.95 25.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.264 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.2 Cg_exo -74.79 119.75 5.83 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.687 2.258 . . . . 0.0 112.177 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 t -157.25 132.16 8.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.96 0.409 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -92.89 -14.71 27.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 63.83 133.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.172 0.51 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.8 -54.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 ttp -126.75 85.14 2.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -175.92 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 66.06 39.0 4.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.2 mtt 59.18 101.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.88 62.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.776 HD13 HD11 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -156.69 -45.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.003 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 31' ' ' LEU . 3.2 mp -56.18 -33.0 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -58.49 -29.61 66.36 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.009 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -76.16 -59.05 2.93 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.067 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -50.51 -49.84 54.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.842 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.585 ' HG ' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -57.8 -34.57 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.29 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -29.68 66.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.671 HD11 ' CB ' ' A' ' 52' ' ' ASN . 84.8 mt -63.69 -58.3 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.936 ' HB2' HD22 ' A' ' 33' ' ' LEU . 3.3 tm? -66.28 -29.36 69.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -65.94 0.6 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.39 -29.9 66.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.523 ' C ' HD11 ' A' ' 35' ' ' LEU . 13.9 t0 -71.3 -34.73 70.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 35' ' ' LEU . 55.1 tp -83.84 -33.02 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -20.69 58.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.501 -179.825 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.369 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -175.8 165.59 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 86' ' ' ILE . 3.1 mt-30 -149.77 143.47 25.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.403 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -120.75 137.25 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.658 -179.049 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mp -106.16 149.09 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.795 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -106.25 122.4 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 HG13 ' A' ' 84' ' ' ILE . 1.5 mp -124.52 149.91 46.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -156.02 121.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.912 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -62.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -148.98 -71.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.802 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.54 -98.75 0.13 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -116.61 144.49 44.33 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.198 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.926 0.393 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -65.37 -28.31 69.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.03 -60.02 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 ptm -57.45 -37.96 73.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.55 . . . . 0.0 110.829 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -27.07 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.689 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.486 HD22 ' CG2' ' A' ' 104' ' ' ILE . 19.1 t-20 -68.75 -43.47 75.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.831 HG11 ' HB3' ' A' ' 73' ' ' TYR . 28.3 t -65.88 -58.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -48.08 -31.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -72.58 -42.03 65.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.29 -55.4 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.01 -31.99 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 57' ' ' LEU . 11.8 ttmt -81.44 -42.42 20.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.81 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.381 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 57.2 m-80 -72.48 -44.57 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.476 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 54' ' ' LYS . 16.0 mt -52.84 -60.09 3.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.141 0.496 . . . . 0.0 110.767 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.76 -31.23 69.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -56.26 -34.48 66.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.04 0.447 . . . . 0.0 110.424 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.588 ' HE1' HD11 ' A' ' 97' ' ' LEU . 13.5 m-85 -77.09 -44.49 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.561 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 8.4 t80 -71.47 -20.68 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -87.62 -22.24 24.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -97.9 -43.31 7.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -119.54 9.54 11.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.5 t80 40.97 38.93 0.74 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 111.759 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -135.7 -47.21 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.953 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 60' ' ' TYR . 2.1 tt0 63.78 98.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.22 44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.72 130.28 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.27 139.91 48.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.446 HG12 HD12 ' A' ' 86' ' ' ILE . 3.1 mt -132.22 136.21 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 111.88 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 t -138.39 170.19 16.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.304 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.831 ' HB3' HG11 ' A' ' 49' ' ' VAL . 6.2 p90 -155.28 152.83 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 111.356 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -166.01 168.85 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.788 HG22 HD13 ' A' ' 82' ' ' LEU . 1.2 pt -114.06 174.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.44 172.18 2.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.592 ' OG1' HG22 ' A' ' 79' ' ' ILE . 3.0 p 62.12 146.27 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.411 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.48 -13.36 27.63 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.439 2.092 . . . . 0.0 112.224 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.592 HG22 ' OG1' ' A' ' 77' ' ' THR . 7.0 tp -76.6 -3.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.727 0.299 . . . . 0.0 111.389 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.6 t30 73.46 50.23 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.03 133.66 33.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.656 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.788 HD13 HG22 ' A' ' 75' ' ' ILE . 3.9 mm? -92.35 98.93 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.55 97.84 9.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.75 HD13 ' CB ' ' A' ' 73' ' ' TYR . 1.5 mm -83.39 132.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.197 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.404 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -123.33 101.79 7.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.944 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.446 HD12 HG12 ' A' ' 71' ' ' ILE . 5.5 tt -104.14 102.02 29.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 6.0 Cg_exo -78.18 115.54 3.75 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.915 2.41 . . . . 0.0 111.966 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -159.92 -172.32 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -122.56 98.4 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 35.3 p90 -60.27 86.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -165.38 -64.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -52.53 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.568 ' HB3' HD13 ' A' ' 97' ' ' LEU . 48.5 m-20 -104.0 42.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.13 34.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.34 -36.3 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.672 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -169.69 98.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 96' ' ' ASP . 1.4 mp -144.08 -66.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -21.65 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.851 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -54.15 -27.91 36.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.188 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.42 -54.15 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.439 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.17 -32.57 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.821 HD23 HD21 ' A' ' 105' ' ' LEU . 5.4 mt -73.79 -33.07 64.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 99' ' ' LYS . 2.5 mm? -70.36 -26.74 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.486 ' CG2' HD22 ' A' ' 48' ' ' ASN . 31.5 mm -80.5 -52.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.275 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.821 HD21 HD23 ' A' ' 102' ' ' LEU . 4.0 pp -56.87 -43.9 81.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.725 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -67.43 -37.64 83.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.557 179.66 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.52 -36.33 83.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.615 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.96 -41.46 91.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -30.4 56.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -79.2 -6.9 57.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.603 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.642 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -138.06 119.08 14.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' HB2' HG23 ' A' ' 86' ' ' ILE . 6.7 mm100 -115.93 143.22 45.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -135.36 137.25 42.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.154 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.744 HD23 ' HG ' ' A' ' 102' ' ' LEU . 2.6 mp -117.03 115.79 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.06 125.02 39.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 82' ' ' LEU . 1.7 pp -137.14 179.51 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.0 t -155.12 120.65 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -113.97 98.12 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.924 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.8 -32.63 6.42 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.641 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -66.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.787 0.327 . . . . 0.0 110.755 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.775 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.772 0.32 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.05 -23.51 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.574 ' N ' HD22 ' A' ' 35' ' ' LEU . 48.8 t30 -53.49 -34.96 59.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 ttt -50.71 -65.43 0.56 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.812 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -56.6 -24.29 46.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -66.82 -47.6 71.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 73' ' ' TYR . 19.7 t -64.5 -35.81 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.2 mt -62.0 -42.93 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -74.13 -41.47 61.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -73.17 -57.85 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -51.5 -30.84 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -40.2 53.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -32.95 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 60.1 m-80 -71.73 -53.87 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -48.02 -57.58 5.59 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.84 -27.77 63.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.615 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.635 ' OH ' HD12 ' A' ' 97' ' ' LEU . 37.5 m-85 -81.34 -29.43 34.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.664 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.6 t80 -80.07 -29.93 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.35 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -27.71 22.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.87 -46.77 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.684 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' LYS . 7.4 m170 -107.49 9.78 29.51 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.1 t80 64.05 -66.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.431 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -65.17 157.14 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.22 -169.19 2.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.541 ' HZ ' HD11 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -144.78 -159.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.498 ' HB2' HG23 ' A' ' 88' ' ' THR . 1.3 t0 -58.32 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.337 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -116.48 167.15 11.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.006 0.431 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.541 HD11 ' HZ ' ' A' ' 68' ' ' PHE . 19.1 mt -128.78 148.58 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.19 165.25 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.23 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.871 ' HB3' HG11 ' A' ' 49' ' ' VAL . 6.7 p90 -158.33 159.45 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.627 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -161.97 157.01 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.492 . . . . 0.0 111.363 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.716 HD13 ' H ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -117.15 140.06 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -115.53 91.5 3.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.734 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 62.68 144.11 0.07 OUTLIER Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.734 ' HD2' HG22 ' A' ' 77' ' ' THR . 74.2 Cg_endo -76.09 -27.22 8.49 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.276 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 79' ' ' ILE . 22.1 mm -110.24 37.79 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.704 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -138.98 -109.89 0.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.564 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 82' ' ' LEU . 46.2 m-85 -137.07 169.81 17.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.983 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 81' ' ' PHE . 6.0 mp -125.78 142.41 51.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.248 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -129.87 141.61 50.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 111.865 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.456 HD13 ' HB3' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -120.16 138.32 51.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.395 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -129.44 106.27 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 98' ' ' LEU . 7.2 tt -106.83 101.06 35.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.448 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 10.3 Cg_exo -70.83 106.47 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.517 2.145 . . . . 0.0 111.763 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.498 HG23 ' HB2' ' A' ' 69' ' ' ASP . 3.1 m -159.93 171.36 19.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.975 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.45 ' H ' HG22 ' A' ' 88' ' ' THR . 3.1 tp -116.39 -5.77 11.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.45 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 97' ' ' LEU . 19.1 p90 44.22 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 111.398 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -155.6 -43.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -71.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -23.75 26.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.1 p30 42.75 33.21 0.45 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.726 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -83.27 135.69 34.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 90' ' ' PHE . 2.8 tp -169.2 -72.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.806 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 86' ' ' ILE . 4.4 mt -88.02 -17.6 30.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.204 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -24.61 16.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -45.28 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.761 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -65.07 -32.37 74.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.744 ' HG ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -79.14 -27.42 42.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.54 -28.95 62.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 105' ' ' LEU . 7.5 tp -84.76 -41.62 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 105' ' ' LEU . 3.8 pp -74.55 -33.75 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' HD12 ' A' ' 105' ' ' LEU . 69.0 t60 -77.1 -48.35 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -57.93 -38.81 76.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.61 -30.56 64.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 tt -95.15 -0.41 53.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.14 -30.8 34.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.835 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.018 0.437 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -93.23 138.61 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.28 136.05 26.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -135.62 126.68 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.184 -179.438 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -101.91 149.01 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.731 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.527 HG23 ' CE2' ' A' ' 81' ' ' PHE . 27.7 mm -110.88 91.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.237 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.689 HD22 ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -78.57 141.99 37.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 0.0 110.682 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' H ' HD23 ' A' ' 105' ' ' LEU . 22.1 t 65.13 132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.313 0.578 . . . . 0.0 110.946 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.81 -65.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.231 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -35.95 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.76 -76.32 0.41 Allowed Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.097 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.49 -73.72 0.07 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 111.129 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.104 0.478 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.936 0.398 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -78.09 -4.52 47.77 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -56.14 -65.46 0.6 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.75 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.67 -27.92 69.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.67 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -66.17 -41.14 90.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 73' ' ' TYR . 22.0 t -67.95 -43.56 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.96 -36.64 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.063 0.458 . . . . 0.0 110.538 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -76.04 -52.18 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -66.53 -54.17 26.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.77 56.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.812 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -43.63 22.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.634 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -61.35 -31.08 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.314 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 49.4 m-80 -73.32 -49.0 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.588 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.27 -59.38 4.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -26.47 66.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.659 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.44 75.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.5 m-85 -80.92 -34.86 33.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.9 t80 -77.35 -25.24 50.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.21 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -87.39 -33.82 18.99 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.298 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -92.84 -50.88 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.19 9.75 29.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.588 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER 46.97 29.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.218 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.6 -175.59 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.788 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.02 143.18 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -151.64 35.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -166.67 158.74 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -128.97 147.7 50.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 86' ' ' ILE . 16.1 mt -130.16 135.09 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 0.0 111.441 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.34 172.98 12.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.903 ' HB2' HD13 ' A' ' 84' ' ' ILE . 4.7 p90 -159.73 158.34 31.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.158 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.36 163.71 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.288 0.565 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.848 HD13 ' N ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -143.61 141.36 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.68 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.848 ' N ' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -161.39 -164.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 76' ' ' SER . 1.3 p 67.49 141.49 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.6 -12.46 24.64 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.482 2.121 . . . . 0.0 112.834 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.89 19.43 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.271 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.21 87.75 0.05 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.575 0.226 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.527 ' CE2' HG23 ' A' ' 32' ' ' ILE . 4.3 t80 -125.47 122.67 37.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 33' ' ' LEU . 4.0 mm? -92.33 111.01 22.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.8 m -103.58 97.36 7.41 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.903 HD13 ' HB2' ' A' ' 73' ' ' TYR . 8.7 mm -84.05 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.018 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 30' ' ' GLU . 25.8 m-85 -129.34 96.56 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.735 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.576 HD13 HD21 ' A' ' 98' ' ' LEU . 4.7 tt -97.08 104.41 18.98 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.025 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 10.7 Cg_endo -90.23 118.69 0.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.983 2.455 . . . . 0.0 112.562 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 t -139.98 163.81 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 90' ' ' PHE . 4.3 mm? -90.17 -34.92 15.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.739 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 89' ' ' LEU . 31.5 t80 52.78 114.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.454 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.23 -77.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.803 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -20.71 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -49.67 -43.52 47.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.2 m120 48.47 27.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.27 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtt -171.96 34.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.46 111.23 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.71 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -120.49 86.26 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.576 HD21 HD13 ' A' ' 86' ' ' ILE . 1.1 mt -73.71 -10.18 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 103' ' ' LEU . 12.9 mmtt -56.21 -19.94 15.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.672 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.86 -50.19 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.904 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -61.17 -48.54 81.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.589 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.522 HD12 HD21 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -60.73 -33.92 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.656 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 99' ' ' LYS . 1.7 mt -70.46 -38.72 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 101' ' ' ALA . 11.0 mt -59.15 -50.54 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER -65.04 -50.47 66.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.835 0.35 . . . . 0.0 110.39 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.822 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -57.56 -58.39 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 111.119 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -21.23 53.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -38.26 71.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.662 0.268 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.0 mt -99.92 -41.33 7.26 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.135 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.36 -27.81 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.681 0.276 . . . . 0.0 111.017 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.587 ' HA ' HD13 ' A' ' 89' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 110.804 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 133.78 55.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -142.68 142.78 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.865 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -135.39 126.67 28.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.206 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mp -111.95 132.07 54.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -89.85 148.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.781 HD11 HG12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -139.88 157.02 46.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.3 t -154.77 121.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -179.98 7.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.192 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.17 -44.78 59.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.006 0.431 . . . . 0.0 110.998 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.25 31.43 2.22 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 114.0 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 110.735 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.75 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.592 0.234 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -62.39 -34.77 77.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -57.76 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 mtp -59.84 -47.96 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HA ' HG22 ' A' ' 50' ' ' ILE . 5.3 tptt -57.85 -29.18 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -70.43 -39.22 74.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.689 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.891 HG11 ' HB3' ' A' ' 73' ' ' TYR . 16.9 t -71.51 -54.7 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 47' ' ' LYS . 5.2 tp -52.52 -30.25 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.88 -40.37 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -80.92 -53.86 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 71' ' ' ILE . . . -55.04 -28.46 52.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -81.74 -40.89 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.779 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.34 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 80.8 m-20 -72.89 -47.25 47.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -49.17 -56.91 7.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.974 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.5 -27.12 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -58.44 -36.53 73.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.4 m-85 -82.02 -34.44 29.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -25.49 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.5 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -44.16 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -102.14 9.6 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 43.15 31.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -151.58 174.94 12.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.018 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 tt0 -139.65 127.03 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -146.62 -46.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.563 ' OD2' HD13 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -70.19 108.23 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 7.7 mttp -103.96 158.48 16.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.579 HD12 HD23 ' A' ' 57' ' ' LEU . 11.1 mt -133.76 146.02 32.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.27 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.05 120.39 15.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.891 ' HB3' HG11 ' A' ' 49' ' ' VAL . 36.1 p90 -120.86 146.68 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.289 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -154.89 152.6 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.039 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.827 HG22 ' CD1' ' A' ' 82' ' ' LEU . 3.0 pt -102.77 153.53 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -133.47 97.68 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.983 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.65 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 11.8 t -74.37 -30.4 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.007 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 77' ' ' THR . 37.4 Cg_exo -56.96 -34.45 97.43 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.038 1.825 . . . . 0.0 112.245 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -112.29 -10.98 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.384 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 t30 66.76 41.34 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -136.52 155.31 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.827 ' CD1' HG22 ' A' ' 75' ' ' ILE . 3.6 mm? -105.2 128.18 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.443 ' C ' HD13 ' A' ' 84' ' ' ILE . 4.6 t -121.43 109.83 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.781 HG12 HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -98.93 93.26 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.476 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.8 t80 -78.83 84.63 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.039 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.599 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.8 106.2 9.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.389 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.8 Cg_exo -78.7 113.88 3.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.831 2.354 . . . . 0.0 112.116 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -150.79 139.16 20.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.985 0.422 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -95.42 -21.75 18.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.742 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.2 t80 61.28 119.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.1 0.476 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.94 -51.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.63 -43.43 80.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -54.23 -33.15 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.9 t30 48.8 29.79 2.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.6 mtt -156.02 -79.8 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.503 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.0 p30 -177.18 -172.61 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 98' ' ' LEU . 1.1 pt? -174.56 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.603 HD22 ' HG ' ' A' ' 97' ' ' LEU . 1.5 mm? -63.89 -23.16 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 103' ' ' LEU . 7.1 tttp -54.12 -28.54 40.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.348 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -82.87 -38.63 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.75 -39.03 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 102' ' ' LEU . 4.1 pp -74.99 -26.82 59.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 99' ' ' LYS . 13.9 mt -76.63 -46.71 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.742 HD12 ' N ' ' A' ' 105' ' ' LEU . 2.6 pp -63.28 -46.71 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.598 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.742 ' N ' HD12 ' A' ' 104' ' ' ILE . 3.5 pp -63.7 -41.34 98.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.708 0.29 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.725 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.2 m80 -67.48 -40.88 85.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.651 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -30.63 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.87 -37.34 55.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.92 -34.05 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -14.01 62.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--O 1.239 0.513 0 CA-C-O 120.713 0.292 . . . . 0.0 110.889 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -144.62 128.69 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 86' ' ' ILE . 35.6 mt-30 -133.65 143.56 48.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -131.89 113.31 13.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.79 HD12 ' CG2' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -88.21 122.38 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.12 103.36 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.6 ' HB2' HD12 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -95.21 152.71 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.304 0.573 . . . . 0.0 110.854 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.7 t 70.28 129.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.081 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' HB2' HD21 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -110.94 -69.48 0.87 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.989 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -153.08 93.01 1.68 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.108 0.48 . . . . 0.0 110.535 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.92 165.86 12.42 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.636 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.73 173.55 1.94 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 120.784 0.326 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -86.3 -3.3 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.412 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.8 m120 -52.75 -34.66 53.84 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.37 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 ptp -65.66 -35.94 82.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.886 0.374 . . . . 0.0 110.783 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' HG22 ' A' ' 50' ' ' ILE . 2.1 tptp -73.2 -25.11 60.63 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -37.68 65.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 84' ' ' ILE . 7.9 t -74.76 -45.41 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.739 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 47' ' ' LYS . 19.1 tt -59.18 -29.32 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.279 0.562 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.49 -52.82 8.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.451 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -67.49 -34.36 76.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.479 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.23 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.46 -49.73 17.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -41.28 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.422 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 19.6 m120 -64.35 -49.11 72.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.75 -62.0 1.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -57.46 -28.38 63.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -57.98 -36.78 73.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.1 m-85 -79.2 -37.85 37.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 3.9 t80 -70.41 -27.92 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -87.82 -29.28 21.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.531 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.8 -47.73 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' PHE . 87.9 m-70 -118.11 9.39 12.66 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' HIS . 14.5 t80 58.11 131.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.945 0.403 . . . . 0.0 111.542 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.407 ' N ' ' HA ' ' A' ' 61' ' ' PHE . 7.3 mmtm 61.56 130.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.25 163.46 27.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -129.68 -44.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.017 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -91.83 146.05 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -117.44 152.55 34.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.781 HD12 HD12 ' A' ' 86' ' ' ILE . 5.0 tt -137.69 118.37 16.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.932 0.396 . . . . 0.0 111.758 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -97.52 128.17 44.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.086 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.508 ' HB3' HD13 ' A' ' 84' ' ' ILE . 19.2 p90 -133.7 143.55 48.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.0 111.292 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 158.28 34.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.756 ' HA ' HD22 ' A' ' 82' ' ' LEU . 4.3 tt -103.18 126.76 57.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.697 0.76 . . . . 0.0 110.96 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -87.95 116.31 26.03 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.671 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 64.08 144.93 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.561 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.671 ' HD2' HG22 ' A' ' 77' ' ' THR . 10.3 Cg_endo -52.0 -34.51 57.17 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.427 2.085 . . . . 0.0 112.375 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 78' ' ' PRO . 1.3 pt -155.79 75.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.009 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -146.03 -77.56 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.434 0.459 . . . . 0.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.409 ' CZ ' ' O ' ' A' ' 35' ' ' LEU . 6.5 m-85 -136.98 169.64 17.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 111.139 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.756 HD22 ' HA ' ' A' ' 75' ' ' ILE . 1.8 tm? -122.24 125.02 45.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.321 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.64 ' N ' HD13 ' A' ' 82' ' ' LEU . 1.3 m -108.99 124.71 51.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.918 HD11 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -130.03 112.85 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.86 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.46 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 95.8 m-85 -117.27 111.96 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.851 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.781 HD12 HD12 ' A' ' 71' ' ' ILE . 7.8 tt -101.22 99.92 12.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.59 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 84.9 Cg_endo -85.69 126.07 2.93 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.547 2.164 . . . . 0.0 112.148 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 t -162.54 135.12 5.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 1.3 tp -59.02 -19.64 45.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.506 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 61.3 t80 65.12 131.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.43 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.35 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -22.94 45.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -95.13 25.85 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 2.3 t30 -56.0 -22.13 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.0 mtm -89.6 14.19 12.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.401 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.3 102.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.78 -3.88 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.386 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 86' ' ' ILE . 3.6 mm? -64.27 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 111.299 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -24.5 8.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.76 -33.58 68.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.332 0.586 . . . . 0.0 110.638 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -81.38 -38.95 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.93 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.753 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.3 tm? -70.62 -31.83 68.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.533 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -45.1 19.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.733 0.301 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.3 tp -58.07 -39.11 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.141 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.856 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -75.23 -38.85 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.882 0.372 . . . . 0.0 111.003 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.856 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.4 t-80 -72.17 -59.95 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -53.2 -33.22 51.86 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.65 -63.28 1.13 Allowed 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' A' ' 35' ' ' LEU . 14.0 tp -66.34 -21.97 66.26 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -59.79 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 C--O 1.234 0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.338 -179.508 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 4.1 t . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.743 0.306 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.84 129.95 55.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.528 ' NE2' HD22 ' A' ' 98' ' ' LEU . 1.2 tt0 -137.96 143.19 40.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 2.0 pt-20 -135.39 137.2 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.959 0.409 . . . . 0.0 111.665 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 HG21 ' A' ' 84' ' ' ILE . 1.2 mt -115.36 110.99 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.468 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.55 126.77 36.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.397 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.803 HD23 ' HB3' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -131.06 -178.06 4.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.326 178.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.614 ' HB ' HD21 ' A' ' 109' ' ' LEU . 38.6 t -152.07 121.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -78.14 165.03 24.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.894 179.54 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.695 ' H ' HD23 ' A' ' 35' ' ' LEU . 10.8 ptmt -140.39 123.19 16.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.163 0.506 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.24 102.34 1.25 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.736 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.37 95.85 4.97 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.016 0.436 . . . . 0.0 110.699 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.752 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.976 0.417 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.39 -28.79 23.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.2 m120 -53.2 -43.56 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.332 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -60.66 -29.96 69.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.214 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -34.15 68.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.619 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.7 t -66.51 -51.45 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.575 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.438 ' HB ' ' CZ ' ' A' ' 73' ' ' TYR . 1.7 tt -59.06 -30.26 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -47.76 57.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.185 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.7 -35.44 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.666 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -65.29 -29.71 70.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.831 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -43.0 36.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -59.41 -35.25 73.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.988 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 7.1 m120 -71.3 -51.43 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.557 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 53' ' ' ALA . 2.2 mt -52.77 -58.28 7.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.085 0.469 . . . . 0.0 110.755 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.2 -27.7 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -35.56 74.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.533 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.446 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 6.9 m-85 -78.58 -37.41 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.361 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.0 t80 -76.78 -20.29 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.021 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.77 -31.65 19.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -52.16 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.964 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -102.44 9.81 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.7 t80 47.18 29.18 1.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.679 0.276 . . . . 0.0 111.298 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.32 151.96 31.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -76.45 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 55.71 29.76 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.626 ' OD2' HG23 ' A' ' 88' ' ' THR . 0.7 OUTLIER -176.12 137.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 mtpm? -127.09 161.88 27.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.485 HG23 ' HB ' ' A' ' 86' ' ' ILE . 20.6 mt -138.92 144.73 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.182 0.515 . . . . 0.0 111.506 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.22 152.0 48.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.706 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.619 ' HB3' HG11 ' A' ' 49' ' ' VAL . 11.8 p90 -143.98 147.09 33.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -164.22 168.78 18.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.549 HG22 HD12 ' A' ' 82' ' ' LEU . 4.8 pt -131.02 165.99 29.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.86 -171.93 0.94 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.629 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 63.69 141.8 0.06 OUTLIER Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HD2' HG22 ' A' ' 77' ' ' THR . 61.9 Cg_endo -73.21 -7.11 20.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.33 2.02 . . . . 0.0 113.226 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 pt -95.12 23.68 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.227 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 55.19 49.47 17.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.998 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -86.53 131.22 34.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.775 HD11 HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.14 131.89 46.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.96 0.41 . . . . 0.0 111.061 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.86 113.84 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.586 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.499 HG21 HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -100.2 117.65 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.293 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.451 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 15.6 m-85 -102.44 84.83 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.751 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.491 HG23 ' HB3' ' A' ' 29' ' ' GLN . 7.1 tt -93.74 105.22 15.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.77 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 2.9 Cg_exo -75.39 111.36 3.29 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.62 2.214 . . . . 0.0 111.678 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.626 HG23 ' OD2' ' A' ' 69' ' ' ASP . 11.3 m -148.9 140.48 23.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 3.2 mm? -70.15 -27.65 64.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.475 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.548 ' H ' HG22 ' A' ' 88' ' ' THR . 40.1 t80 73.95 142.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 90' ' ' PHE . 11.4 t0 81.6 1.08 1.55 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.342 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -31.46 31.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.962 0.41 . . . . 0.0 110.57 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -103.35 1.56 32.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.226 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.36 60.97 0.16 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.019 0.437 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.7 mtt 59.18 41.18 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.46 86.38 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.66 -73.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.528 HD22 ' NE2' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -68.96 -27.59 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -32.52 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -82.36 -36.5 26.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -73.42 -34.39 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -77.05 -33.89 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.26 -27.6 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.309 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 101' ' ' ALA . 2.0 tp -79.64 -39.13 20.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.293 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.6 pp -70.94 -37.64 72.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 110.718 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.82 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -70.19 -47.63 60.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 111.334 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.72 -51.58 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.33 67.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.87 -42.63 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -81.88 -8.95 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.676 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.234 0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.512 -179.795 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.681 ' HA ' HD22 ' A' ' 89' ' ' LEU . 1.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.777 0.322 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -134.19 127.72 32.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.4 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HB3' HG23 ' A' ' 86' ' ' ILE . 2.8 tp60 -140.03 143.24 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 4.3 pt-20 -136.07 121.79 19.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.555 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 ' HG ' ' A' ' 102' ' ' LEU . 2.1 mp -97.98 100.02 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.572 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -98.98 130.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.599 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.835 ' CB ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.48 -160.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.624 179.674 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.887 ' HA ' HD22 ' A' ' 109' ' ' LEU . 20.9 t 63.93 124.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' CE1' ' A' ' 81' ' ' PHE . 2.4 tp -132.29 175.14 9.53 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.818 0.699 . . . . 0.0 111.216 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt 67.51 -67.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.72 -98.06 1.79 Allowed Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.938 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 176.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 39' ' ' LEU . 12.0 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.597 0.237 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.59 -29.02 22.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -57.39 -61.31 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -56.65 -37.18 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.5 ' HA ' HG22 ' A' ' 50' ' ' ILE . 6.9 tttt -70.28 -25.27 63.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.011 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.761 ' OD1' HD11 ' A' ' 104' ' ' ILE . 11.8 m-20 -72.52 -34.33 67.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.866 HG21 HD11 ' A' ' 84' ' ' ILE . 12.3 t -79.22 -45.4 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 111.488 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' A' ' 47' ' ' LYS . 6.0 tp -57.28 -36.72 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.27 -56.84 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -59.84 -45.57 91.99 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.806 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 71' ' ' ILE . . . -59.79 -28.92 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -46.06 70.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.43 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.55 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 18.2 m120 -65.19 -56.7 11.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mt -51.08 -58.04 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.121 0.486 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.89 -28.18 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.743 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -58.85 -35.91 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.563 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 69' ' ' ASP . 16.7 m-85 -78.99 -37.23 39.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.749 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -75.06 -24.8 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -87.63 -33.39 18.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.222 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -52.14 3.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.911 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -106.49 9.62 31.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.501 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER 49.11 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.746 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.23 167.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.047 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -95.79 112.09 23.9 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -145.86 152.75 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.439 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER 63.46 105.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.054 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 tppt? -115.99 163.35 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.998 HD12 HD12 ' A' ' 86' ' ' ILE . 20.0 tt -149.18 103.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.44 ' H ' ' HD3' ' A' ' 87' ' ' PRO . 71.0 m -93.64 116.61 29.11 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.796 ' HB2' HD13 ' A' ' 84' ' ' ILE . 25.0 p90 -110.1 147.7 33.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.137 0.494 . . . . 0.0 111.523 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -165.5 168.99 16.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.332 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 82' ' ' LEU . 2.2 pp -114.24 137.62 46.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.3 t -132.45 -169.66 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.451 0.643 . . . . 0.0 110.754 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.6 p 63.13 130.31 0.03 OUTLIER Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.078 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.27 -24.92 28.47 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.605 2.203 . . . . 0.0 113.044 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.566 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.5 mp -72.98 -7.76 10.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.832 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.1 t30 70.27 81.68 0.16 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.437 ' CZ ' ' HB ' ' A' ' 79' ' ' ILE . 22.1 m-85 -119.34 161.59 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 34' ' ' VAL . 7.7 tp -92.21 99.62 12.38 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.774 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.6 m -100.84 95.93 6.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 49' ' ' VAL . 1.1 mm -92.94 129.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.229 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.59 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -124.58 88.03 2.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.908 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.998 HD12 HD12 ' A' ' 71' ' ' ILE . 16.2 tt -84.74 102.57 2.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 123.47 0.481 . . . . 0.0 111.767 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.59 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.4 Cg_endo -87.69 117.72 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.987 2.458 . . . . 0.0 111.671 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.8 t -167.91 143.05 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.199 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 27' ' ' SER . 3.5 mm? -91.19 86.5 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -57.03 99.93 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.1 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.493 -1.23 . . . . 0.0 111.076 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -58.09 2.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.168 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -52.69 -28.56 22.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 55.85 27.29 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.42 -79.26 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.68 94.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 78.97 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 86' ' ' ILE . 4.9 mt -88.02 -26.07 22.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.042 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -55.84 -24.58 37.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.411 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -80.6 -37.22 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -62.23 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.862 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.617 ' HG ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -76.84 -29.96 56.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.9 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.78 58.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.761 HD11 ' OD1' ' A' ' 48' ' ' ASN . 8.6 tp -81.13 -37.63 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.835 HD13 ' CB ' ' A' ' 33' ' ' LEU . 4.5 pp -76.97 -37.21 55.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.817 0.341 . . . . 0.0 110.734 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.742 ' N ' HD12 ' A' ' 105' ' ' LEU . 8.9 t-160 -71.13 -48.75 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.19 -50.13 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.05 -28.57 64.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.887 HD22 ' HA ' ' A' ' 34' ' ' VAL . 45.8 tp -94.4 -16.45 23.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.328 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -55.28 -19.56 8.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.548 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.801 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -133.71 127.25 32.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.936 0.398 . . . . 0.0 111.485 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.744 HE21 ' HA ' ' A' ' 29' ' ' GLN . 1.1 mm-40 -147.67 141.85 26.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.609 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.58 137.12 41.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.675 HD22 HD21 ' A' ' 105' ' ' LEU . 6.4 mt -133.56 114.13 13.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.429 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 1.1 pt -79.46 149.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.487 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD23 ' CG2' ' A' ' 34' ' ' VAL . 2.5 tt -132.07 155.44 48.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.613 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 ' HA ' HD13 ' A' ' 109' ' ' LEU . 14.0 t 71.59 132.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -52.99 1.11 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.897 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -167.07 97.83 0.52 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.809 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.39 -74.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.548 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.54 147.27 35.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.924 179.491 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.827 0.346 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.05 -27.27 2.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.479 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -54.18 -66.46 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.403 0.44 . . . . 0.0 111.092 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.42 ' HB3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -57.13 -31.02 64.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HA ' HG22 ' A' ' 50' ' ' ILE . 60.4 mmtt -76.51 -23.4 53.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -75.18 -36.8 61.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.737 HG11 ' CB ' ' A' ' 73' ' ' TYR . 16.1 t -76.08 -44.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.165 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 47' ' ' LYS . 4.9 tp -59.98 -43.41 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.47 ' N ' HG23 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -64.65 -54.5 30.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.765 ' ND2' HG21 ' A' ' 104' ' ' ILE . 3.9 m120 -60.62 -46.31 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.867 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -57.29 -31.04 65.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -35.49 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.521 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.45 -51.14 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.583 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 65.4 m-80 -59.83 -56.5 21.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -48.09 -57.62 5.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.72 -28.64 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -36.82 70.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 18.8 m-85 -82.24 -33.04 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.588 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -73.34 -27.81 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -87.57 -26.94 22.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.322 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -97.58 -48.54 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.355 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -96.23 9.81 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.752 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 4.6 t80 51.17 26.49 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.242 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 149.15 26.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.27 115.39 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -128.54 168.64 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.65 127.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 151.72 35.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.826 HG21 ' HB1' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -145.15 126.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 111.417 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.495 ' N ' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -114.73 116.91 29.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.665 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.919 ' HB2' HD12 ' A' ' 84' ' ' ILE . 3.8 p90 -111.47 154.65 24.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -161.28 152.5 18.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.343 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.54 HG23 ' CD1' ' A' ' 82' ' ' LEU . 4.0 mp -106.64 154.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.18 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 75' ' ' ILE . 3.1 m -122.02 110.31 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -81.62 -49.77 0.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.721 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.1 Cg_exo -47.12 -26.57 5.35 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.54 2.16 . . . . 0.0 113.09 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 79' ' ' ILE . 18.2 mt -130.86 12.99 2.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 43.28 30.98 0.34 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.078 0.466 . . . . 0.0 111.361 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 31.0 t80 -107.85 166.9 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.236 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.54 ' CD1' HG23 ' A' ' 75' ' ' ILE . 1.5 tp -122.15 136.84 54.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.944 0.402 . . . . 0.0 111.232 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.532 ' C ' HD13 ' A' ' 84' ' ' ILE . 1.7 t -131.94 115.93 16.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.919 HD12 ' HB2' ' A' ' 73' ' ' TYR . 6.2 mm -112.03 93.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 111.471 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -84.63 85.55 7.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.089 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 86' ' ' ILE . 15.7 tt -83.15 106.55 7.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.66 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD3' ' H ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -83.74 116.23 2.2 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.905 2.403 . . . . 0.0 111.883 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -160.23 143.31 13.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.287 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 45.5 tp -86.14 -16.6 37.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.33 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.61 ' CD1' HD22 ' A' ' 97' ' ' LEU . 8.9 t80 63.42 125.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.96 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.671 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -57.23 13.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -57.9 -26.06 61.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 53.42 27.71 6.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.252 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -162.48 -77.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -121.93 -175.07 3.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -167.18 -37.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.252 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.674 HD21 ' OE1' ' A' ' 29' ' ' GLN . 1.7 mp -87.99 -20.26 26.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.257 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 103' ' ' LEU . 2.4 tttm -54.32 -26.35 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.31 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -83.23 -43.46 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.694 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.635 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -75.15 -26.65 59.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.048 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 1.1 tt -80.9 -32.38 34.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 99' ' ' LYS . 3.4 mm? -76.76 -28.68 55.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.765 HG21 ' ND2' ' A' ' 52' ' ' ASN . 1.1 pp -82.67 -38.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.675 HD21 HD22 ' A' ' 31' ' ' LEU . 3.8 pp -78.14 -36.39 47.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 21.1 t60 -71.35 -53.85 12.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.04 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 69.8 m-20 -59.64 -30.95 69.09 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.928 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.029 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 34' ' ' VAL . 3.9 tp -99.51 -0.81 39.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.861 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -72.35 0.31 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.322 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -179.861 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.441 ' HB2' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.197 0.522 . . . . 0.0 111.478 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -120.73 146.61 46.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB2' HG23 ' A' ' 86' ' ' ILE . 55.1 mm-40 -134.98 143.14 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.36 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.52 128.45 31.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 84' ' ' ILE . 1.8 mp -98.18 114.2 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 32' ' ' ILE . 11.7 tt -77.74 109.0 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.7 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 105' ' ' LEU . 3.4 mt -100.78 128.98 46.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.228 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 t -115.71 104.25 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.272 0.558 . . . . 0.0 111.21 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.737 HD11 ' OG ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -96.78 157.81 15.72 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.024 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.62 75.12 9.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.958 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.36 138.88 25.87 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.424 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.42 49.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.782 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.737 ' OG ' HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.375 0 CA-C-O 120.782 0.325 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -86.6 -3.34 59.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.394 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -40.17 -57.53 1.68 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 111.965 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -53.86 51.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 50' ' ' ILE . 7.4 ttmt -60.19 -25.95 65.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.84 -41.38 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.368 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.792 HG11 ' HB3' ' A' ' 73' ' ' TYR . 62.1 t -61.34 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 47' ' ' LYS . 6.5 mt -60.29 -37.18 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -50.01 14.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -55.3 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.548 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -54.91 -30.91 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -81.9 -52.24 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -58.21 -44.5 88.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 71.2 m-20 -62.77 -56.56 16.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.619 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.816 ' HG ' HD12 ' A' ' 71' ' ' ILE . 36.3 mt -48.04 -60.03 2.92 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.44 -27.54 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -36.45 73.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.747 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 4.3 m-85 -84.49 -35.45 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.22 -29.1 65.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -87.26 -32.76 19.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.92 -48.54 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.073 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -97.73 9.79 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.606 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 63.43 -72.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.4 OUTLIER -127.34 100.44 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.812 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.09 -178.94 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.17 104.73 10.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -173.47 139.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -137.24 140.31 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.816 HD12 ' HG ' ' A' ' 57' ' ' LEU . 30.0 mt -133.8 132.37 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 111.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.28 174.27 10.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.761 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.901 ' HB2' HD13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -160.06 155.75 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -163.78 168.85 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 0.0 111.921 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 81' ' ' PHE . 3.4 mp -105.52 149.49 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.033 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.59 -177.55 6.56 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 111.275 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.612 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 70.37 142.42 0.09 OUTLIER Pre-proline 0 CA--C 1.518 -0.256 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.08 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.612 ' HD2' HG22 ' A' ' 77' ' ' THR . 88.9 Cg_exo -46.76 -31.51 10.75 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.701 2.268 . . . . 0.0 111.847 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 80' ' ' ASN . 8.1 mt -96.37 165.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.906 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.489 ' N ' HG22 ' A' ' 79' ' ' ILE . 2.5 m120 -64.57 72.71 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.934 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ILE . 2.1 t80 -95.66 127.52 41.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HB3' HD12 ' A' ' 33' ' ' LEU . 4.5 mm? -95.61 102.67 14.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.0 116.8 32.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.901 HD13 ' HB2' ' A' ' 73' ' ' TYR . 5.0 mm -86.76 142.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -129.27 86.69 2.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.253 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 29' ' ' GLN . 5.3 tt -95.51 104.31 15.44 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.613 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -83.45 121.04 2.93 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 t -172.11 172.61 4.57 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.21 0.528 . . . . 0.0 112.123 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 tp -108.33 91.81 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.614 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 27' ' ' SER . 9.0 p90 -62.53 84.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 110.744 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -178.01 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -58.26 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.621 ' CG ' HD21 ' A' ' 97' ' ' LEU . 1.4 m120 -61.53 -23.69 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.965 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.28 29.68 5.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.7 mtp -128.55 -80.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.14 -62.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 93' ' ' ASN . 10.9 mt 73.47 -60.35 0.53 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 86' ' ' ILE . 4.2 mt -51.83 -23.94 5.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.437 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -28.62 1.7 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -57.42 3.81 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.84 0.352 . . . . 0.0 110.124 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.68 -43.1 84.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.572 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -62.29 -30.79 71.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.696 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -25.34 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.8 mm -77.03 -44.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.775 ' CB ' HD23 ' A' ' 33' ' ' LEU . 1.5 pp -65.85 -34.96 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.758 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.24 -43.54 70.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.185 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.57 -29.39 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -30.16 41.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 0.0 111.13 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.27 -29.13 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.1 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -75.07 -6.95 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.598 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.105 -179.74 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.883 0.373 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 117.96 24.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.517 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.5 tt0 -115.92 143.51 45.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.001 0.429 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -134.84 137.21 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.177 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 98' ' ' LEU . 4.8 mp -120.87 114.67 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 pt -78.04 119.61 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -106.05 -175.82 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.031 0.443 . . . . 0.0 110.895 179.795 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.543 ' H ' HD23 ' A' ' 33' ' ' LEU . 61.2 t -144.23 119.06 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -69.52 147.64 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.93 177.15 8.24 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.22 0.533 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.0 135.62 7.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.38 121.89 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.688 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.17 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.537 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -56.95 -58.3 8.76 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -77.36 -23.05 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.513 ' OD1' HG21 ' A' ' 104' ' ' ILE . 18.5 t-20 -74.9 -35.11 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 84' ' ' ILE . 15.5 t -79.4 -42.33 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.5 tt -61.79 -36.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.74 -50.72 22.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.411 ' ND2' HG21 ' A' ' 104' ' ' ILE . 3.7 m-80 -66.53 -50.35 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -56.84 -28.16 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' A' ' 57' ' ' LEU . 4.0 mtmp? -78.27 -56.19 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.11 -36.0 67.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.431 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 70.9 m-20 -70.36 -42.65 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 54' ' ' LYS . 8.4 mt -51.95 -61.66 2.12 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.059 0.456 . . . . 0.0 110.851 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.06 -27.82 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -59.23 -34.81 72.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.445 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 8.7 m-85 -80.22 -34.61 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -70.75 -28.36 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.013 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -88.03 -32.3 18.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.409 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 -51.54 4.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.94 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -104.08 9.61 36.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.511 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 45.54 -164.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.441 179.702 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.24 107.99 0.84 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 179.99 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 36.9 p90 -56.59 156.79 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.445 ' CB ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -81.06 -154.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.663 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' A' ' 87' ' ' PRO . 1.6 tttt -123.17 150.92 42.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.713 HG23 ' CG1' ' A' ' 86' ' ' ILE . 10.3 mt -117.54 144.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.278 0.561 . . . . 0.0 111.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -138.33 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.227 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.855 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.5 p90 -160.07 153.89 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -149.92 160.76 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 35' ' ' LEU . 16.0 tt -114.21 136.12 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 m -104.79 84.48 2.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.814 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -58.27 -61.67 7.07 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.456 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.6 Cg_endo -54.15 -24.38 33.13 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.465 2.11 . . . . 0.0 112.262 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.5 mm -92.07 -15.77 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 64.64 21.32 12.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.63 168.65 19.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 4.0 mm? -104.64 138.21 41.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.92 94.28 4.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.357 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.855 HD13 ' HB2' ' A' ' 73' ' ' TYR . 2.7 mm -83.03 133.23 29.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.336 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.3 m-85 -129.22 101.06 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.716 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.713 ' CG1' HG23 ' A' ' 71' ' ' ILE . 5.8 tt -104.04 97.56 11.67 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 7.2 Cg_exo -72.77 105.89 2.01 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.587 2.191 . . . . 0.0 112.501 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.87 HG22 ' H ' ' A' ' 90' ' ' PHE . 53.1 m -132.92 148.14 52.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.471 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 tp -105.02 15.54 27.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.87 ' H ' HG22 ' A' ' 88' ' ' THR . 4.4 t80 60.37 120.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.43 . . . . 0.0 110.733 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.88 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.44 136.34 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' HB2' HD13 ' A' ' 97' ' ' LEU . 2.5 p-10 42.46 30.08 0.19 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.587 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -54.42 -25.95 27.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.1 mtm -60.62 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.71 147.19 5.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 93' ' ' ASN . 0.7 OUTLIER 179.74 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.94 -19.91 5.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.745 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -45.28 -27.85 0.72 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.056 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.09 -44.64 37.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.996 0.427 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.45 75.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -78.78 -29.32 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.893 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.92 -29.09 65.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.513 HG21 ' OD1' ' A' ' 48' ' ' ASN . 26.7 pt -84.72 -45.17 17.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.323 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.569 ' C ' HD12 ' A' ' 105' ' ' LEU . 2.9 pp -66.77 -33.87 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.444 ' N ' HD12 ' A' ' 105' ' ' LEU . 25.6 t-80 -76.5 -31.76 57.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.342 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.34 -38.84 91.06 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.692 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.29 -14.67 37.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -63.21 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.01 0.434 . . . . 0.0 111.009 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -63.41 -15.69 58.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.427 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 134.25 35.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.4 mm-40 -134.4 143.39 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -135.26 137.18 42.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.277 -179.344 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.608 HD13 ' HB1' ' A' ' 101' ' ' ALA . 2.3 mt -107.64 148.84 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.648 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 32' ' ' ILE . 9.3 tp -109.96 124.67 66.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -123.03 154.9 37.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.797 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -148.23 117.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.138 0.494 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.591 HD22 ' HB2' ' A' ' 45' ' ' ASN . 3.1 tp -110.85 -165.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.862 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.99 130.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.02 27.85 3.32 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.663 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -94.92 97.19 9.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.215 0.531 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.801 0.334 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -38.4 87.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.724 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.669 ' C ' HD21 ' A' ' 45' ' ' ASN . 0.1 OUTLIER -70.37 -50.89 34.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG3' HD11 ' A' ' 75' ' ' ILE . 1.6 ttt -55.72 -53.17 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.3 -23.85 64.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.339 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -70.89 -37.55 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.205 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 73' ' ' TYR . 21.7 t -73.97 -48.18 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.194 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -57.33 -35.23 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.172 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -43.12 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' OD1' HD11 ' A' ' 104' ' ' ILE . 18.7 m120 -72.41 -53.51 12.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.826 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -56.12 -28.77 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -78.32 -47.81 16.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -42.3 75.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 29.4 m-20 -64.91 -62.75 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 53' ' ' ALA . 3.8 mt -44.27 -55.73 4.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 3.0 mt-10 -55.32 -38.83 69.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -24.65 61.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.022 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 98.6 m-85 -82.47 -54.59 5.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 58' ' ' GLU . 8.4 p90 -85.32 -28.32 25.32 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.885 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -87.49 -37.55 16.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.514 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.69 -51.68 4.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.581 0.229 . . . . 0.0 111.471 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -90.09 9.66 27.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.706 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 43.24 33.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 155.92 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -108.63 91.67 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -150.85 163.08 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.82 92.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.631 ' HA ' HD21 ' A' ' 57' ' ' LEU . 6.6 mttt -108.21 156.34 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.981 HD11 HD11 ' A' ' 97' ' ' LEU . 2.5 mp -133.97 146.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.283 0.564 . . . . 0.0 111.859 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.32 133.24 32.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.748 ' HB3' HG11 ' A' ' 49' ' ' VAL . 22.1 p90 -133.31 158.62 42.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -156.46 154.1 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.522 HD11 ' HG3' ' A' ' 46' ' ' MET . 4.7 mt -102.79 142.59 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.15 112.61 24.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.668 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -65.29 -61.8 5.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.505 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.0 Cg_endo -51.8 116.47 2.78 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.544 2.162 . . . . 0.0 112.571 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 79' ' ' ILE . 23.0 mm 72.6 9.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.66 62.76 2.47 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.744 ' C ' HD22 ' A' ' 82' ' ' LEU . 3.9 m-85 -107.22 162.31 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.632 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 81' ' ' PHE . 3.1 mm? -122.64 108.89 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.21 116.74 32.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.766 HG13 HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -115.82 131.33 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.469 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 4.9 m-85 -129.14 90.77 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.606 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -87.46 106.01 10.22 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.1 Cg_exo -79.75 111.79 2.81 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.722 2.281 . . . . 0.0 112.214 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.42 HG22 ' HG3' ' A' ' 29' ' ' GLN . 12.7 t -126.6 -177.15 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.35 -9.62 14.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.469 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 64.21 136.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.05 0.452 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.0 t70 70.34 25.41 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.8 81.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.611 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 58.89 24.39 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.007 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 p-10 -65.94 -31.21 72.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.1 mmm -70.71 -29.44 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.97 51.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.981 HD11 HD11 ' A' ' 71' ' ' ILE . 7.5 tt -169.04 -61.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 86' ' ' ILE . 4.4 tp -60.87 -29.58 69.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -32.91 70.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -49.57 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.608 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -59.07 -43.81 91.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.834 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 105' ' ' LEU . 4.1 mt -67.15 -29.94 69.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -29.52 66.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 101' ' ' ALA . 18.7 mt -76.25 -54.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 102' ' ' LEU . 3.0 pp -57.55 -30.04 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.066 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -53.64 11.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.518 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.55 -44.36 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 110.985 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.55 -24.87 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tt -95.45 -32.68 12.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.09 -18.48 42.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.8 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.321 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.501 ' HG ' ' HE1' ' A' ' 90' ' ' PHE . 5.4 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -176.48 138.11 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -116.02 143.19 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 1.9 pp20? -122.08 117.99 27.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.338 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HB3' HD21 ' A' ' 105' ' ' LEU . 1.2 mp -95.54 145.13 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.589 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 pt -112.3 133.37 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.458 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.745 HD22 ' H ' ' A' ' 34' ' ' VAL . 2.6 tm? -115.05 146.58 41.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.212 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.745 ' H ' HD22 ' A' ' 33' ' ' LEU . 29.8 t -123.52 107.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.361 0.6 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 ' OD1' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -87.23 53.49 2.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.982 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -74.09 135.06 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.77 56.73 1.48 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.166 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -148.25 120.82 8.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 110.742 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.8 179.523 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 111.563 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -86.65 -35.1 19.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 0.0 111.001 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.58 ' OD1' HD11 ' A' ' 35' ' ' LEU . 5.9 m120 -58.7 -45.57 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.595 ' HB3' HD11 ' A' ' 75' ' ' ILE . 18.4 ptp -57.78 -45.41 86.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 50' ' ' ILE . 5.1 mtpp -67.61 -23.62 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -72.49 -41.55 65.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.692 HG11 ' CB ' ' A' ' 73' ' ' TYR . 19.6 t -67.46 -49.05 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.7 tt -60.61 -39.73 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.77 -44.2 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' HG21 ' A' ' 104' ' ' ILE . 13.0 m120 -66.66 -47.69 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -57.75 -30.65 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.66 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -78.22 -50.04 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -58.74 -33.12 69.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.596 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 77.7 m-20 -70.08 -49.19 53.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.703 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 53' ' ' ALA . 3.6 mt -49.75 -58.9 4.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 110.842 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.75 -30.43 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.779 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -36.46 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.7 m-85 -79.58 -34.73 40.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.9 t80 -77.39 -25.08 50.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.317 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -32.93 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.232 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -50.99 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -109.42 9.8 25.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.3 t80 47.35 29.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.737 0.304 . . . . 0.0 111.337 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 136.5 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -23.73 10.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.53 89.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.532 ' O ' HD21 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -179.37 106.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -104.95 154.06 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.438 ' CD1' ' HB1' ' A' ' 53' ' ' ALA . 46.3 mt -138.22 142.28 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.092 0.472 . . . . 0.0 111.55 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.91 121.57 17.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.954 ' HB2' HD12 ' A' ' 84' ' ' ILE . 8.0 p90 -127.0 153.09 46.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -163.22 168.82 20.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.595 HD11 ' HB3' ' A' ' 46' ' ' MET . 21.3 mt -122.52 143.98 33.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.416 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 m -165.38 -171.52 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.2 m 68.0 119.41 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 36.8 Cg_exo -60.6 -15.6 37.78 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.469 2.113 . . . . 0.0 112.513 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 79' ' ' ILE . 14.7 mt -93.73 31.63 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.473 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 52.43 69.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.222 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -119.62 123.75 44.65 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 75' ' ' ILE . 1.9 tp -92.53 122.76 35.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.973 0.416 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.4 ' C ' HD13 ' A' ' 84' ' ' ILE . 13.5 p -108.32 101.4 10.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.541 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.954 HD12 ' HB2' ' A' ' 73' ' ' TYR . 4.5 mm -103.72 123.14 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.488 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -119.71 85.8 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CD1' HG12 ' A' ' 71' ' ' ILE . 7.4 tt -83.33 105.87 6.2 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.237 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -83.59 118.09 2.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.118 2.545 . . . . 0.0 112.195 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.577 ' C ' HD12 ' A' ' 89' ' ' LEU . 8.9 t -149.82 171.85 16.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.095 0.474 . . . . 0.0 111.774 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.622 ' N ' HD12 ' A' ' 89' ' ' LEU . 4.6 mp -118.2 77.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 17.5 p90 -60.91 86.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 0.0 110.938 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -178.88 -44.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.788 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -50.6 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.68 -28.47 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.28 22.29 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.34 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 mmt -156.86 26.99 0.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.55 96.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 110.676 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.91 85.17 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 98' ' ' LEU . 4.5 pp -75.54 -17.8 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.484 ' N ' HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -56.79 -20.77 24.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.394 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -70.62 -50.02 41.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.023 0.44 . . . . 0.0 110.149 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.882 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -58.1 -45.74 86.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.441 ' HA ' HD21 ' A' ' 105' ' ' LEU . 1.6 tt -64.03 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.81 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -40.84 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.882 HD12 ' HA ' ' A' ' 101' ' ' ALA . 6.7 mt -60.42 -49.29 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 106' ' ' HIS . 3.9 pp -71.12 -48.29 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.76 ' N ' HD12 ' A' ' 105' ' ' LEU . 56.5 t-80 -61.34 -52.01 66.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.35 -38.38 77.09 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -39.28 84.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.606 0.241 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.806 ' O ' HD23 ' A' ' 109' ' ' LEU . 5.6 tt -81.37 -34.29 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -16.86 49.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.611 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.554 0.216 . . . . 0.0 111.161 -179.691 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 1.4 m . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 120.518 0.199 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -131.51 115.67 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.784 ' HB3' HG23 ' A' ' 86' ' ' ILE . 1.8 tp-100 -124.43 137.42 54.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -136.22 126.61 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' HB ' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -95.32 133.81 38.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 pt -87.67 96.23 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.57 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.845 HD22 ' HG ' ' A' ' 82' ' ' LEU . 2.8 tt -112.34 159.91 18.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.695 ' N ' HD23 ' A' ' 33' ' ' LEU . 45.1 t -144.26 119.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.623 . . . . 0.0 111.413 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.92 HD12 HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -73.68 165.59 24.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.69 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.699 ' CB ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -92.34 169.59 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.92 -75.9 1.07 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.391 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -78.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.591 0.234 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD13 ' CB ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.936 0.398 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -24.51 60.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.079 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.55 ' ND2' HD21 ' A' ' 33' ' ' LEU . 1.4 m120 -55.89 -53.9 51.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -54.45 -35.52 63.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.071 0.463 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' HA ' HG22 ' A' ' 50' ' ' ILE . 3.6 ttpp -72.37 -24.83 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.65 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -72.78 -36.84 67.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG21 HD11 ' A' ' 84' ' ' ILE . 16.4 t -73.0 -49.59 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -58.13 -27.44 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -45.1 34.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -76.08 -48.25 21.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -58.58 -28.54 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.998 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -44.45 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -38.75 85.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.579 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 86.9 m-20 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.567 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 53' ' ' ALA . 10.4 mt -49.55 -59.4 3.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.72 -29.62 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -36.85 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.3 m-85 -81.16 -33.09 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.492 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.526 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.8 t80 -68.54 -29.32 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.02 -27.12 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.3 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.33 -49.38 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.675 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.69 9.74 11.5 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 51.07 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.883 0.373 . . . . 0.0 111.204 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 123.37 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.76 -54.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -159.14 -177.33 6.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.009 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 70.08 119.53 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HD2' HD21 ' A' ' 57' ' ' LEU . 1.7 mmmt -147.53 164.91 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.451 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.543 HD12 ' HG ' ' A' ' 57' ' ' LEU . 2.9 mp -136.32 136.25 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.314 0.578 . . . . 0.0 111.901 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -138.51 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.39 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.818 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.3 p90 -159.99 148.49 17.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 111.178 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -149.93 169.08 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.818 ' CG2' HD22 ' A' ' 82' ' ' LEU . 2.7 pp -135.35 151.29 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.805 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.459 ' C ' HG23 ' A' ' 77' ' ' THR . 44.4 m -164.78 -172.12 2.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 76' ' ' SER . 1.4 p 69.23 140.93 0.07 OUTLIER Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.79 -36.66 83.15 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.479 2.119 . . . . 0.0 112.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -8.48 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.65 83.96 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.205 0.526 . . . . 0.0 111.196 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -108.48 140.44 41.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.515 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -101.43 93.74 5.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.382 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.66 110.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.818 HD13 ' HB2' ' A' ' 73' ' ' TYR . 5.5 mm -98.66 116.5 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.42 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -112.18 95.59 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.784 HG23 ' HB3' ' A' ' 29' ' ' GLN . 13.4 tt -103.31 102.5 29.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.076 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 15.0 Cg_exo -68.79 133.25 26.87 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.579 2.186 . . . . 0.0 112.181 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.7 t -171.81 134.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.956 0.408 . . . . 0.0 111.37 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.0 mp -94.67 -20.26 19.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.977 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 t80 59.38 109.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.05 0.452 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 90' ' ' PHE . 27.1 t0 166.76 -43.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.247 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -16.08 15.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.279 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.406 ' OD1' ' CE1' ' A' ' 60' ' ' TYR . 3.0 m-20 -50.8 -42.19 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.92 19.65 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.94 81.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.794 0.33 . . . . 0.0 110.768 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.66 105.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -98.57 32.17 2.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.017 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.525 HD11 HG21 ' A' ' 86' ' ' ILE . 3.7 mm? -83.36 -30.6 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -62.65 -23.04 66.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.23 -32.23 55.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.412 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.81 -30.36 51.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -77.58 -35.87 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.371 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 103' ' ' LEU . 3.6 pp -76.51 -30.53 57.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -75.02 -39.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.213 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.875 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -70.77 -33.89 71.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.875 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.31 -43.71 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.656 0.597 . . . . 0.0 110.815 179.797 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.0 -46.96 85.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -34.71 74.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.655 HD21 ' HB ' ' A' ' 34' ' ' VAL . 6.4 mt -68.87 -58.58 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -62.82 -30.24 71.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.806 0.336 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 139.37 34.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.571 ' HB2' HG23 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.86 138.97 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -135.61 137.21 41.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.34 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.16 148.89 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.5 128.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.948 HD23 HD22 ' A' ' 105' ' ' LEU . 2.6 mt -129.24 152.47 48.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.644 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.3 t -148.5 118.0 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.213 0.53 . . . . 0.0 111.552 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 170.22 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.783 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.97 111.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.64 -173.52 27.15 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.434 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -150.4 71.61 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.694 0.283 . . . . 0.0 110.882 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.917 0.389 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -26.57 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.023 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -58.15 -63.17 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.049 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -31.7 72.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.668 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 50' ' ' ILE . 2.7 tptp -73.08 -26.73 61.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -73.07 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.942 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.5 t -75.59 -44.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 47' ' ' LYS . 1.1 tt -59.71 -33.65 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -73.68 -48.77 29.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.636 ' OD1' HG21 ' A' ' 104' ' ' ILE . 34.1 m120 -71.66 -49.61 38.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.53 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -81.37 -44.02 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -39.46 83.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 50.7 m-20 -70.09 -54.75 11.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -48.42 -54.66 13.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -61.09 -29.17 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -58.15 -36.47 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.638 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 49.2 m-85 -78.73 -43.52 25.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.696 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 65' ' ' PHE . 7.7 t80 -70.34 -21.8 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -87.74 -23.06 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.73 -46.01 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.931 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 7.35 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 61' ' ' PHE . 1.1 t80 34.84 83.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.3 OUTLIER 175.17 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.626 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER 37.84 91.99 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.077 0.465 . . . . 0.0 111.732 -179.629 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 93' ' ' ASN . 0.4 OUTLIER -95.66 41.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.173 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 179.84 138.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -113.19 157.84 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.535 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.8 mt -123.76 141.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.292 0.568 . . . . 0.0 111.828 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.32 165.43 26.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.31 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.942 ' HB3' HG11 ' A' ' 49' ' ' VAL . 38.7 p90 -146.18 160.64 41.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 0.0 111.486 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.12 126.33 12.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.742 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' CD1' ' A' ' 82' ' ' LEU . 1.1 tt -102.68 118.43 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.82 41.37 3.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.523 ' HB ' ' HD3' ' A' ' 78' ' ' PRO . 51.7 m -65.54 -55.91 21.67 Favored Pre-proline 0 N--CA 1.453 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 77' ' ' THR . 37.3 Cg_endo -66.05 -25.49 51.4 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.292 1.995 . . . . 0.0 112.175 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mm -86.94 -34.43 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.007 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -176.46 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -137.03 170.46 16.06 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.264 0.554 . . . . 0.0 112.175 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.638 ' CD1' HD12 ' A' ' 75' ' ' ILE . 6.7 tp -97.58 114.02 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.249 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.1 p -125.63 133.68 52.14 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.462 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.897 HD11 HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -100.7 145.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -129.14 104.57 7.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.406 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 29' ' ' GLN . 5.5 tt -102.34 103.87 33.78 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -81.27 110.41 2.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.999 2.466 . . . . 0.0 112.69 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 88' ' ' THR . 10.0 t -122.7 106.83 11.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.566 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tp -50.98 -31.39 17.8 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 t80 63.56 134.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.141 0.496 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.89 -61.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.47 31.12 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 13.0 p-10 -98.51 -34.65 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.062 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 60.83 66.35 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.8 ttt 65.46 96.55 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.745 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -179.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.39 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.01 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -10.46 59.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.591 ' HA ' HD21 ' A' ' 102' ' ' LEU . 1.3 mtpt -55.69 -23.04 26.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.379 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.768 ' OE1' HD11 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.35 -51.87 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.851 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.55 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 103' ' ' LEU . 4.4 pp -76.18 -39.33 55.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.776 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.686 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.56 -21.99 62.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.006 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.768 HD11 ' OE1' ' A' ' 100' ' ' GLN . 16.1 mt -82.19 -43.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.948 HD22 HD23 ' A' ' 33' ' ' LEU . 3.7 pp -70.57 -29.34 65.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.425 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -75.8 -52.13 11.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -58.08 -37.14 73.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.77 -32.99 71.79 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -33.77 46.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 -179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.957 0.408 . . . . 0.0 110.768 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -84.46 117.7 23.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.6 tp60 -118.99 143.29 47.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.692 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -132.61 131.03 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -102.41 141.28 35.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.679 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.5 124.42 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.307 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.746 HD12 HG13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -118.16 160.97 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.552 ' HB ' HD11 ' A' ' 109' ' ' LEU . 21.7 t -153.31 119.42 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.033 0.444 . . . . 0.0 111.092 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -115.62 88.11 2.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.706 -179.374 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -138.15 163.2 32.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.268 0.556 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.59 -43.43 1.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.828 -0.186 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 111.102 179.674 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -78.8 -3.11 42.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.588 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.422 ' CG ' HD23 ' A' ' 35' ' ' LEU . 44.1 t30 -54.54 -45.82 73.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -45.94 84.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' ' 50' ' ' ILE . 19.6 tttt -68.37 -23.67 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -71.4 -42.17 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.764 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 84' ' ' ILE . 22.0 t -68.14 -50.0 62.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.4 tt -59.06 -29.92 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.741 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -75.7 -47.14 27.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -45.76 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.81 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -59.27 -30.25 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.769 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -78.5 -47.62 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.587 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.42 76.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.445 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 66.3 m-20 -66.71 -57.9 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.557 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.7 mt -43.33 -55.59 3.99 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.174 0.511 . . . . 0.0 110.998 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.483 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 6.3 mt-10 -55.43 -36.91 67.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -26.18 66.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 93.0 m-85 -82.28 -51.58 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 58' ' ' GLU . 6.9 p90 -87.18 -30.1 21.27 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.936 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 17.9 tttt -87.55 -36.38 17.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -97.23 -28.44 14.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.652 0.263 . . . . 0.0 111.586 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.66 9.65 19.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 45.68 98.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.602 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 137.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.01 171.78 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -117.52 92.14 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -178.94 148.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.178 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -143.0 159.48 42.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 86' ' ' ILE . 32.1 mt -135.33 136.21 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.318 0.58 . . . . 0.0 111.88 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 168.12 20.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.151 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.935 ' HB2' HD13 ' A' ' 84' ' ' ILE . 1.6 p90 -160.08 159.48 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.968 0.413 . . . . 0.0 111.647 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -151.57 154.32 36.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 82' ' ' LEU . 5.9 mt -103.41 130.21 54.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.14 106.94 18.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.621 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 64.96 141.66 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.354 0 CA-C-O 121.111 0.482 . . . . 0.0 110.481 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 77' ' ' THR . 50.1 Cg_exo -53.17 -25.01 28.04 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.354 2.036 . . . . 0.0 112.354 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -158.16 82.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.952 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -157.21 -83.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' C ' HD22 ' A' ' 82' ' ' LEU . 38.4 m-85 -136.7 169.81 17.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.422 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 81' ' ' PHE . 2.8 mm? -120.32 133.07 55.52 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.48 0.487 . . . . 0.0 110.577 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.46 112.62 18.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 0.0 111.448 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.935 HD13 ' HB2' ' A' ' 73' ' ' TYR . 4.4 mm -98.24 134.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.448 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.431 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.2 m-85 -127.19 90.12 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 29' ' ' GLN . 5.5 tt -91.7 106.5 17.21 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 2.0 Cg_endo -82.42 111.36 2.07 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.913 2.409 . . . . 0.0 112.462 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -129.76 146.86 51.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.926 0.393 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.676 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -112.08 85.85 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -59.03 85.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.516 0.674 . . . . 0.0 111.276 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -145.96 24.3 1.33 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.019 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.55 -68.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -14.52 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.933 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 18.61 5.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 166.33 89.42 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.742 ' HB3' HD12 ' A' ' 98' ' ' LEU . 13.8 t0 -54.35 145.45 17.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.97 67.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -81.71 -12.4 58.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.277 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.462 ' O ' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -55.95 -22.4 26.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.264 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.85 -58.91 3.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.962 0.411 . . . . 0.0 110.226 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.8 66.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HA ' HD21 ' A' ' 105' ' ' LEU . 10.0 mt -62.77 -31.58 72.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.754 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -74.84 -40.57 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.7 mm -58.11 -52.48 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.185 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.552 ' HA ' HD21 ' A' ' 33' ' ' LEU . 3.6 pp -63.12 -42.5 99.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.985 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.477 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -63.44 -45.66 89.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.787 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -58.54 -29.48 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.714 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.89 -35.34 67.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.552 HD11 ' HB ' ' A' ' 34' ' ' VAL . 3.0 mt -90.41 -27.1 19.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.53 -7.21 54.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.308 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.446 . . . . 0.0 111.025 -179.643 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.76 0.314 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.73 166.95 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.676 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.38 143.77 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.374 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -127.71 125.13 39.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.033 0.444 . . . . 0.0 111.488 -179.285 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 98' ' ' LEU . 5.4 mp -113.7 148.23 36.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -113.22 142.13 26.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.872 HD11 HG13 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -133.37 158.79 42.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 t -153.9 120.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.314 0.578 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.1 135.64 47.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.038 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.77 124.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 110.939 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 -56.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.44 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.3 -61.71 1.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.817 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.846 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.804 0.335 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.94 -3.44 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.432 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.445 ' OD1' HD22 ' A' ' 33' ' ' LEU . 1.6 t-20 -54.84 -52.96 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.474 ' HB3' HG21 ' A' ' 75' ' ' ILE . 26.0 ptm -58.62 -45.41 89.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.721 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.521 ' HA ' HG22 ' A' ' 50' ' ' ILE . 11.4 mttp -70.87 -20.9 62.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.547 ' HB3' HG23 ' A' ' 104' ' ' ILE . 1.2 m120 -74.66 -35.39 62.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 84' ' ' ILE . 21.8 t -76.63 -43.35 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.3 tt -61.73 -35.73 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.726 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.21 -44.54 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.563 ' CB ' HD11 ' A' ' 104' ' ' ILE . 4.9 m-80 -71.99 -46.92 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.669 ' HB1' HG21 ' A' ' 71' ' ' ILE . . . -57.36 -31.03 65.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -45.68 15.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -60.88 -34.37 74.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 72.7 m-20 -72.29 -49.61 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.451 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 53' ' ' ALA . 7.1 mt -49.31 -59.19 3.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.39 -25.6 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.678 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -32.09 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.638 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.2 m-85 -86.31 -35.59 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.686 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.5 t80 -75.98 -32.7 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -88.15 -39.24 14.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.571 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.81 -52.31 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.947 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -100.23 9.5 42.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 8.2 t80 58.0 133.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.022 0.439 . . . . 0.0 111.382 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER 63.61 139.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.12 150.31 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -142.17 -46.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' OD2' HG21 ' A' ' 88' ' ' THR . 6.8 t70 -60.03 116.02 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -107.35 157.01 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.256 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.707 HD12 HD12 ' A' ' 86' ' ' ILE . 9.6 tt -139.9 144.35 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 0.0 111.86 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -129.39 117.05 19.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.442 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.644 ' CB ' HG11 ' A' ' 49' ' ' VAL . 27.1 p90 -121.05 153.83 36.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.588 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -151.32 153.07 34.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -124.3 141.53 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.935 0.397 . . . . 0.0 111.532 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.77 104.86 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -75.6 -50.33 3.45 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.895 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.3 Cg_exo -48.07 -32.88 19.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.273 1.982 . . . . 0.0 112.471 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.91 -14.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.99 30.35 11.86 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 111.101 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.51 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -121.6 146.98 46.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.714 ' HB3' HD13 ' A' ' 33' ' ' LEU . 3.3 mm? -110.24 118.39 36.21 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.2 m -108.71 133.33 52.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.872 HG13 HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -133.82 126.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.067 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.482 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -129.41 92.74 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.151 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.707 HD12 HD12 ' A' ' 71' ' ' ILE . 11.5 tt -86.16 105.49 7.6 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.888 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 4.1 Cg_endo -86.73 115.47 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.924 2.416 . . . . 0.0 111.85 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.406 HG21 ' OD2' ' A' ' 69' ' ' ASP . 4.9 t -152.67 178.8 9.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.033 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -123.34 100.06 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 29.8 p90 -69.05 87.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.278 0.561 . . . . 0.0 110.802 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.16 -68.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 mtp -62.17 -28.96 70.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.78 -36.58 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 54.95 23.63 5.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtp 175.84 78.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -77.31 143.81 38.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 tp -145.03 72.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -73.26 -10.46 59.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -20.36 44.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.411 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -72.48 -48.41 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.992 0.425 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -62.63 -46.75 86.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.618 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.423 ' HG ' HD21 ' A' ' 31' ' ' LEU . 4.3 mt -59.5 -29.97 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.01 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.384 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 101' ' ' ALA . 26.4 mt -70.12 -49.38 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.98 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.68 ' HA ' HD23 ' A' ' 33' ' ' LEU . 3.2 pp -70.52 -32.63 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -69.49 -46.67 66.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -69.67 -31.06 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.01 -32.21 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 105' ' ' LEU . 4.1 pp -99.98 -23.48 14.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -69.47 -6.64 31.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.778 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 111.944 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.718 0.294 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 126.41 54.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.653 ' HB2' HG23 ' A' ' 86' ' ' ILE . 5.9 mt-30 -134.1 143.39 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.44 137.07 41.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 84' ' ' ILE . 3.8 mt -105.04 133.74 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.61 107.82 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.194 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.804 HD13 HG13 ' A' ' 84' ' ' ILE . 5.4 mp -120.53 138.78 53.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.507 HG12 ' H ' ' A' ' 35' ' ' LEU . 2.3 t -102.98 -137.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.507 ' H ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -140.16 131.54 26.8 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.613 0.244 . . . . 0.0 110.794 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.22 -66.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.659 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.54 -135.72 4.39 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 63.29 130.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.39 -27.39 22.8 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.778 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.745 ' HB3' HD13 ' A' ' 82' ' ' LEU . 7.3 m120 -56.99 -49.83 74.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -46.54 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.013 0.435 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.832 ' HA ' HD12 ' A' ' 50' ' ' ILE . 8.2 tttp -61.82 -27.94 69.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.201 0.524 . . . . 0.0 110.391 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.63 -40.76 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.687 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.905 HG11 ' HB3' ' A' ' 73' ' ' TYR . 24.5 t -71.28 -34.62 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 47' ' ' LYS . 45.9 mt -61.16 -40.35 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -73.53 -45.2 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' CG ' HD13 ' A' ' 104' ' ' ILE . 27.1 m120 -71.67 -56.52 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.68 -28.91 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -79.28 -40.34 30.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -60.54 -41.87 95.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.481 ' OD1' HD11 ' A' ' 97' ' ' LEU . 29.4 m-20 -69.58 -48.56 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.82 HD12 ' OE2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -52.24 -57.55 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -28.36 69.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.58 72.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 24.3 m-85 -76.73 -42.76 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.329 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 7.1 t80 -64.68 -28.13 69.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.61 -23.83 24.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.725 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -41.28 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -108.92 9.6 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 39.8 32.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 111.605 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -141.89 -44.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.03 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.82 ' OE2' HD12 ' A' ' 57' ' ' LEU . 8.4 tt0 71.47 105.66 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.59 174.98 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.789 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 60.2 170.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -145.1 158.58 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.054 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.517 HG23 ' HB ' ' A' ' 86' ' ' ILE . 17.1 mt -131.97 146.39 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.359 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.32 168.19 20.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.905 ' HB3' HG11 ' A' ' 49' ' ' VAL . 5.9 p90 -158.72 152.81 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.48 168.99 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.164 0.507 . . . . 0.0 111.034 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 76' ' ' SER . 4.3 mt -128.53 158.41 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 75' ' ' ILE . 83.8 p -165.7 -172.22 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 111.064 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 p 62.04 150.76 0.1 Allowed Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.36 -19.28 22.35 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.064 2.509 . . . . 0.0 112.955 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 79' ' ' ILE . 21.1 mm -89.92 13.25 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.961 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.7 85.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.52 127.99 55.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.408 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' A' ' 45' ' ' ASN . 16.9 tp -92.47 95.31 9.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.3 m -97.75 102.08 13.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.399 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -86.81 138.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.799 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 77.3 m-85 -129.25 94.26 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.839 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' A' ' 29' ' ' GLN . 9.5 tt -95.36 105.7 21.69 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.555 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 3.7 Cg_exo -76.28 111.28 3.23 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.588 2.192 . . . . 0.0 111.779 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -153.42 140.32 19.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.153 0.501 . . . . 0.0 111.149 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mp -96.99 -13.36 22.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.328 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.469 ' HZ ' HD21 ' A' ' 94' ' ' ASN . 11.5 t80 63.72 128.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.071 0.462 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.59 -54.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.404 ' O ' ' CB ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -74.14 118.52 17.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.953 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 92' ' ' MET . 0.1 OUTLIER 79.58 -13.65 0.94 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.899 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.469 HD21 ' HZ ' ' A' ' 90' ' ' PHE . 9.7 m120 52.11 52.74 13.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.868 0.366 . . . . 0.0 111.202 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -174.89 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 57.44 23.59 9.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.554 HD21 ' CZ ' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 41.68 46.49 3.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.686 179.772 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -23.21 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.58 ' HA ' HD21 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -58.31 -20.5 43.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -78.42 -50.6 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -54.61 -47.83 72.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.986 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 99' ' ' LYS . 4.0 pp -70.83 -23.95 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.73 -40.38 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.201 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.438 HD13 ' CG ' ' A' ' 52' ' ' ASN . 7.4 pt -67.28 -32.53 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.609 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.7 pp -80.69 -39.74 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.8 ' N ' HD12 ' A' ' 105' ' ' LEU . 6.3 t60 -73.68 -50.81 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.27 -51.69 67.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -57.23 -31.57 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.424 HD22 HG23 ' A' ' 34' ' ' VAL . 8.4 tp -100.31 -0.4 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.709 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -73.09 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 122.229 -0.294 . . . . 0.0 111.332 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.993 0.425 . . . . 0.0 111.17 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.711 0.291 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.4 138.63 51.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -131.38 133.87 45.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.643 ' HB2' HG23 ' A' ' 86' ' ' ILE . 49.2 mm-40 -137.69 143.58 41.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.38 137.24 42.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.296 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 105' ' ' LEU . 2.1 mp -109.85 111.99 23.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -74.26 92.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.663 HD23 HD21 ' A' ' 45' ' ' ASN . 6.5 mp -78.8 166.1 22.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.708 ' O ' HD13 ' A' ' 109' ' ' LEU . 27.2 t -154.72 122.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.737 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.814 HD13 ' OD1' ' A' ' 45' ' ' ASN . 1.8 tp -120.85 -166.01 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.77 161.0 19.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.67 33.49 6.52 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.9 31.96 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.003 0.43 . . . . 0.0 110.523 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 mt -127.37 146.54 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -143.81 35.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.623 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 tp -176.51 99.72 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.9 m80 63.13 126.03 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.2 121.0 40.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -20.14 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.814 ' OD1' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -54.21 -59.29 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.151 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -57.03 -40.11 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -66.8 -25.77 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -72.35 -37.69 68.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.782 HG11 ' HB3' ' A' ' 73' ' ' TYR . 26.6 t -71.13 -43.87 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.238 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 73' ' ' TYR . 34.7 mm -63.69 -37.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -71.3 -33.01 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.831 ' ND2' HD13 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -88.69 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.045 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.24 -32.73 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -83.76 -51.8 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.35 -39.01 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 60.7 m-20 -67.23 -47.79 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.424 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.02 -64.22 0.88 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.231 0.538 . . . . 0.0 110.592 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.82 -29.28 59.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.916 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -36.8 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 0.0 110.522 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.732 ' CE1' HD22 ' A' ' 97' ' ' LEU . 6.7 m-85 -79.06 -32.96 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.3 t80 -77.72 -29.55 51.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.268 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -40.98 13.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.05 -52.67 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.58 9.94 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.485 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.4 t80 68.11 -64.7 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.193 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -144.21 119.8 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.07 -166.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -139.86 93.85 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD2' HD12 ' A' ' 97' ' ' LEU . 8.1 t70 -177.8 125.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -113.16 154.13 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.401 HG12 ' CG1' ' A' ' 86' ' ' ILE . 12.2 mt -132.75 139.32 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.353 0.597 . . . . 0.0 112.155 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.49 172.8 12.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.238 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.866 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.3 p90 -159.99 165.49 31.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.046 0.45 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -159.45 159.01 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.483 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.8 mp -104.02 126.2 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.914 0.388 . . . . 0.0 111.341 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.36 84.67 2.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.547 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.05 130.28 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.595 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.94 -17.69 46.48 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.606 2.204 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 79' ' ' ILE . 1.6 mp -114.83 32.75 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.814 0.34 . . . . 0.0 111.399 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -139.3 -108.96 0.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.682 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -137.06 168.21 20.03 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.969 0.414 . . . . 0.0 111.227 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 33' ' ' LEU . 4.6 mm? -95.5 142.28 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.366 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.32 104.2 11.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 73' ' ' TYR . 3.5 mm -97.41 132.28 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.198 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.473 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 26.7 m-85 -128.73 92.9 3.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.258 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -91.52 104.88 11.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -85.09 116.0 1.75 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.969 2.446 . . . . 0.0 112.023 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.4 t -133.3 142.99 48.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.89 0.376 . . . . 0.0 111.255 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 tp -75.96 -30.44 58.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 63.11 131.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.34 -41.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 ttt -131.97 34.83 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.786 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.544 ' ND2' HD11 ' A' ' 97' ' ' LEU . 20.1 m120 -105.17 -36.23 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 57.51 26.82 13.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 57.72 54.66 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -128.63 24.23 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 ' CE1' ' A' ' 60' ' ' TYR . 9.6 mt -117.41 -25.4 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -12.48 60.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.381 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.549 ' O ' HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -55.55 -40.0 71.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -38.5 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.38 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 110.61 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.961 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 99' ' ' LYS . 3.5 mt -83.16 -45.35 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.831 HD13 ' ND2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -59.57 -45.34 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.329 -179.649 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -72.36 -44.18 62.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.755 ' N ' HD12 ' A' ' 105' ' ' LEU . 45.4 t-80 -59.48 -57.44 12.97 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.752 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.24 -32.27 62.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.779 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.66 -44.51 93.55 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.749 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 34' ' ' VAL . 3.0 tp -99.8 -0.97 38.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -78.37 -72.16 0.39 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -87.17 -64.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.451 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.1 OUTLIER 172.59 -63.43 0.01 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.828 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.7 p 44.31 42.79 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.451 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.323 -0.563 0 CA-C-O 120.863 0.364 . . . . 0.0 110.832 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.6 m -125.49 127.52 46.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -102.26 139.45 37.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.154 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -134.72 139.27 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 110.917 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.41 135.7 40.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.068 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.547 HD13 ' HB1' ' A' ' 101' ' ' ALA . 1.2 mp -111.96 144.13 41.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.64 102.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.519 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.857 HD23 ' HG ' ' A' ' 82' ' ' LEU . 5.1 tp -88.24 144.91 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.81 ' HA ' HD22 ' A' ' 109' ' ' LEU . 18.0 t 69.16 129.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.054 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -39.48 2.98 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -62.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.22 -51.8 0.62 Allowed Glycine 0 C--N 1.322 -0.227 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.219 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 46.01 -169.4 0.01 OUTLIER 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.012 0.434 . . . . 0.0 111.207 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.14 171.67 7.66 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 121.068 0.461 . . . . 0.0 110.464 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.09 125.67 52.7 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.053 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.0 mm? -98.73 -75.33 0.56 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.832 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -118.43 22.14 12.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.761 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m 54.1 34.55 20.25 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.094 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -57.48 -23.96 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 111.261 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -55.93 -51.6 67.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -30.8 68.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.851 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.501 ' HA ' HG22 ' A' ' 50' ' ' ILE . 3.3 mmmp? -76.26 -24.68 54.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.06 -36.65 66.91 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 84' ' ' ILE . 21.3 t -75.25 -50.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.0 tt -56.58 -28.75 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -75.38 -46.14 34.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.075 0.464 . . . . 0.0 110.678 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.03 -47.54 44.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.26 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.33 -45.14 49.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.758 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -57.77 -49.73 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 76.3 m-20 -57.22 -56.81 16.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.641 HD21 ' HA ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -49.4 -55.29 13.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.797 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -62.84 -29.53 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.731 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.55 -37.8 68.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 19.5 m-85 -79.24 -41.91 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.523 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.2 t80 -65.84 -25.8 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -23.37 24.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.325 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -43.21 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -109.09 9.6 26.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 42.64 31.08 0.27 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.782 0.325 . . . . 0.0 111.489 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -39.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.604 ' CG ' HD12 ' A' ' 57' ' ' LEU . 12.8 tt0 75.76 81.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -93.14 164.85 13.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.46 154.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.641 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -133.83 156.86 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.692 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.576 HD11 HD11 ' A' ' 97' ' ' LEU . 33.8 mt -134.26 137.07 52.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.271 0.558 . . . . 0.0 111.76 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.24 164.09 30.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.19 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.866 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.6 p90 -160.06 158.54 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.549 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -150.57 168.66 23.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.327 0.584 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -127.8 159.17 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.365 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.5 m -134.88 118.21 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.148 0.499 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.416 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -87.94 -52.92 0.38 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.612 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 77' ' ' THR . 59.3 Cg_exo -50.8 -28.17 22.45 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.662 2.241 . . . . 0.0 112.572 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.9 mt -106.09 -24.0 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.364 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 68.47 42.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -132.82 148.3 52.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.857 ' HG ' HD23 ' A' ' 33' ' ' LEU . 4.3 mm? -92.26 115.18 27.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.12 114.51 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.153 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 73' ' ' TYR . 3.3 mm -108.84 131.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.688 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -129.14 92.94 3.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -98.19 107.11 39.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.471 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 91.9 Cg_endo -85.14 124.27 2.84 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.525 2.15 . . . . 0.0 112.551 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.451 HG21 ' CE1' ' A' ' 90' ' ' PHE . 15.2 t -146.78 -162.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -30.99 5.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CE1' HG21 ' A' ' 88' ' ' THR . 22.8 m-85 58.92 26.48 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -149.68 20.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -54.56 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.361 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -88.54 -3.88 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 65.97 59.27 0.71 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.83 41.34 2.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.567 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -93.39 52.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.576 HD11 HD11 ' A' ' 71' ' ' ILE . 4.0 tt -154.01 -48.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 31' ' ' LEU . 1.3 mm? -59.11 -30.2 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -59.79 -30.85 69.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.76 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.547 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -60.9 -36.85 80.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.954 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.541 ' CD2' HD23 ' A' ' 31' ' ' LEU . 44.5 mt -74.7 -32.4 62.15 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.035 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 mt -77.26 -36.99 53.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.891 0.377 . . . . 0.0 111.521 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.09 -46.34 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.524 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -66.65 -42.81 86.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 111.044 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.834 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -62.94 -53.2 57.76 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 120.882 0.373 . . . . 0.0 110.61 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -61.24 -15.16 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.221 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.22 -66.46 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.81 HD22 ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -100.34 -48.58 4.53 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -59.47 -17.53 32.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.757 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -51.46 -64.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.457 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -177.82 -66.99 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.121 0.486 . . . . 0.0 111.011 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.608 ' O ' HG22 ' A' ' 113' ' ' VAL . 13.0 p 43.72 33.83 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-O 121.28 0.562 . . . . 0.0 111.612 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 -179.642 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.757 0.313 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t 70.96 -66.01 0.31 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.777 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -115.3 124.62 51.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.661 ' HB3' HG23 ' A' ' 86' ' ' ILE . 2.3 tp60 -128.23 141.53 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -135.51 137.27 41.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.076 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -109.02 128.58 55.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.589 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.5 pp -73.14 130.08 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.936 HD22 ' HB2' ' A' ' 105' ' ' LEU . 23.0 mt -137.61 133.15 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 111.057 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 t -155.63 122.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.12 0.486 . . . . 0.0 111.225 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.541 ' HA ' HD13 ' A' ' 109' ' ' LEU . 1.6 tp -104.03 161.6 13.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.606 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 2.2 tptt -105.97 154.88 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.997 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.65 168.31 14.44 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.47 -54.05 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.805 HD23 HD13 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -126.57 113.72 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -121.63 -53.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.805 HD13 HD23 ' A' ' 39' ' ' LEU . 6.7 mp 63.88 -78.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -72.68 76.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -59.18 109.95 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -81.84 -16.9 49.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.537 HD21 HD22 ' A' ' 35' ' ' LEU . 1.8 m120 -54.23 -38.99 66.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -38.15 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -73.26 -23.42 60.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.762 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' OD1' HG23 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -74.15 -38.39 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 73' ' ' TYR . 13.0 t -72.73 -47.35 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.841 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.14 -32.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.88 -44.35 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.671 ' CB ' HD11 ' A' ' 104' ' ' ILE . 9.7 m-80 -72.88 -52.5 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.1 62.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -82.59 -45.73 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -60.16 -35.54 75.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 82.0 m-20 -73.9 -48.9 27.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -50.19 -55.1 16.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.54 -30.22 71.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -37.41 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.0 m-85 -78.31 -46.23 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.493 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -64.81 -24.12 67.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -87.83 -21.34 25.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.81 -42.8 7.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.152 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.63 9.59 11.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.506 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.2 t80 58.09 15.72 3.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.462 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER 162.2 146.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.517 0.327 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.21 155.93 25.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -98.58 81.74 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -169.84 117.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -121.54 155.7 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 97' ' ' LEU . 3.0 mp -135.48 142.55 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.153 0.502 . . . . 0.0 111.502 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.26 148.32 44.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.803 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.803 ' HB3' HG11 ' A' ' 49' ' ' VAL . 19.5 p90 -138.82 152.02 47.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.028 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.63 160.9 38.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 tt -131.1 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.28 -172.35 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.4 m 65.15 138.92 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' A' ' 77' ' ' THR . 73.3 Cg_endo -75.7 -7.52 18.58 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.465 2.11 . . . . 0.0 112.795 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 79' ' ' ILE . 3.0 mt -96.82 29.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 111.229 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 53.91 67.38 1.02 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.112 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -104.12 120.0 40.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.693 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 19.9 tp -102.04 117.84 35.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 0.0 111.13 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.83 110.37 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.781 HD11 ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -92.64 137.0 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 49.2 m-85 -125.1 96.43 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.776 HD11 HD13 ' A' ' 97' ' ' LEU . 11.7 tt -96.38 105.95 25.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.264 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.2 Cg_exo -74.79 119.75 5.83 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.687 2.258 . . . . 0.0 112.177 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 t -157.25 132.16 8.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.96 0.409 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -92.89 -14.71 27.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 63.83 133.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.172 0.51 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.8 -54.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 ttp -126.75 85.14 2.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -175.92 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 66.06 39.0 4.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.2 mtt 59.18 101.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.88 62.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.776 HD13 HD11 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -156.69 -45.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.003 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 31' ' ' LEU . 3.2 mp -56.18 -33.0 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -58.49 -29.61 66.36 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.009 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -76.16 -59.05 2.93 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.067 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -50.51 -49.84 54.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.842 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.585 ' HG ' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -57.8 -34.57 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.29 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -29.68 66.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.671 HD11 ' CB ' ' A' ' 52' ' ' ASN . 84.8 mt -63.69 -58.3 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.936 ' HB2' HD22 ' A' ' 33' ' ' LEU . 3.3 tm? -66.28 -29.36 69.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -65.94 0.6 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.39 -29.9 66.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.523 ' C ' HD11 ' A' ' 35' ' ' LEU . 13.9 t0 -71.3 -34.73 70.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 35' ' ' LEU . 55.1 tp -83.84 -33.02 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -20.69 58.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -80.76 1.42 30.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.501 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 16.6 m-85 -121.81 -46.13 2.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.372 . . . . 0.0 110.806 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 113' ' ' VAL . 8.4 p -73.9 64.05 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 121.338 0.59 . . . . 0.0 110.867 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.822 0.344 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.76 -165.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.743 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -175.8 165.59 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 86' ' ' ILE . 3.1 mt-30 -149.77 143.47 25.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.403 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -120.75 137.25 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.658 -179.049 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mp -106.16 149.09 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.795 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -106.25 122.4 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 HG13 ' A' ' 84' ' ' ILE . 1.5 mp -124.52 149.91 46.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -156.02 121.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.912 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -62.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -148.98 -71.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.802 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.54 -98.75 0.13 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -116.61 144.49 44.33 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.8 86.38 0.09 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -160.87 101.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER 66.06 -75.48 0.05 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.882 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 61.65 32.44 18.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -155.02 -46.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -65.37 -28.31 69.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.03 -60.02 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 ptm -57.45 -37.96 73.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.55 . . . . 0.0 110.829 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -27.07 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.689 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.486 HD22 ' CG2' ' A' ' 104' ' ' ILE . 19.1 t-20 -68.75 -43.47 75.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.831 HG11 ' HB3' ' A' ' 73' ' ' TYR . 28.3 t -65.88 -58.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -48.08 -31.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -72.58 -42.03 65.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.29 -55.4 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.01 -31.99 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 57' ' ' LEU . 11.8 ttmt -81.44 -42.42 20.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.81 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.381 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 57.2 m-80 -72.48 -44.57 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.476 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 54' ' ' LYS . 16.0 mt -52.84 -60.09 3.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.141 0.496 . . . . 0.0 110.767 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.76 -31.23 69.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -56.26 -34.48 66.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.04 0.447 . . . . 0.0 110.424 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.588 ' HE1' HD11 ' A' ' 97' ' ' LEU . 13.5 m-85 -77.09 -44.49 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.561 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 8.4 t80 -71.47 -20.68 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -87.62 -22.24 24.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -97.9 -43.31 7.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -119.54 9.54 11.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.5 t80 40.97 38.93 0.74 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 111.759 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -135.7 -47.21 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.953 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 60' ' ' TYR . 2.1 tt0 63.78 98.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.22 44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.72 130.28 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.27 139.91 48.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.446 HG12 HD12 ' A' ' 86' ' ' ILE . 3.1 mt -132.22 136.21 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 111.88 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 t -138.39 170.19 16.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.304 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.831 ' HB3' HG11 ' A' ' 49' ' ' VAL . 6.2 p90 -155.28 152.83 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 111.356 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -166.01 168.85 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.788 HG22 HD13 ' A' ' 82' ' ' LEU . 1.2 pt -114.06 174.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.44 172.18 2.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.592 ' OG1' HG22 ' A' ' 79' ' ' ILE . 3.0 p 62.12 146.27 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.411 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.48 -13.36 27.63 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.439 2.092 . . . . 0.0 112.224 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.592 HG22 ' OG1' ' A' ' 77' ' ' THR . 7.0 tp -76.6 -3.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.727 0.299 . . . . 0.0 111.389 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.6 t30 73.46 50.23 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.03 133.66 33.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.656 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.788 HD13 HG22 ' A' ' 75' ' ' ILE . 3.9 mm? -92.35 98.93 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.55 97.84 9.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.75 HD13 ' CB ' ' A' ' 73' ' ' TYR . 1.5 mm -83.39 132.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.197 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.404 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -123.33 101.79 7.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.944 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.446 HD12 HG12 ' A' ' 71' ' ' ILE . 5.5 tt -104.14 102.02 29.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 6.0 Cg_exo -78.18 115.54 3.75 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.915 2.41 . . . . 0.0 111.966 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -159.92 -172.32 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -122.56 98.4 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 35.3 p90 -60.27 86.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -165.38 -64.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -52.53 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.568 ' HB3' HD13 ' A' ' 97' ' ' LEU . 48.5 m-20 -104.0 42.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.13 34.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.34 -36.3 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.672 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -169.69 98.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 96' ' ' ASP . 1.4 mp -144.08 -66.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -21.65 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.851 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -54.15 -27.91 36.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.188 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.42 -54.15 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.439 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.17 -32.57 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.821 HD23 HD21 ' A' ' 105' ' ' LEU . 5.4 mt -73.79 -33.07 64.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 99' ' ' LYS . 2.5 mm? -70.36 -26.74 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.486 ' CG2' HD22 ' A' ' 48' ' ' ASN . 31.5 mm -80.5 -52.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.275 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.821 HD21 HD23 ' A' ' 102' ' ' LEU . 4.0 pp -56.87 -43.9 81.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.725 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -67.43 -37.64 83.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.557 179.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.52 -36.33 83.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.615 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.96 -41.46 91.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -30.4 56.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -79.2 -6.9 57.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.603 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.0 -26.12 3.99 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.642 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -131.29 -85.31 0.5 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.448 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 113' ' ' VAL . 9.4 p 41.05 45.92 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.153 0.501 . . . . 0.0 111.637 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -179.741 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.549 ' HA ' HD13 ' A' ' 89' ' ' LEU . 4.4 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.615 0.245 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.8 167.83 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -138.06 119.08 14.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' HB2' HG23 ' A' ' 86' ' ' ILE . 6.7 mm100 -115.93 143.22 45.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -135.36 137.25 42.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.154 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.744 HD23 ' HG ' ' A' ' 102' ' ' LEU . 2.6 mp -117.03 115.79 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.06 125.02 39.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 82' ' ' LEU . 1.7 pp -137.14 179.51 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.0 t -155.12 120.65 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -113.97 98.12 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.924 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.9 OUTLIER -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.8 -32.63 6.42 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.641 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -66.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.787 0.327 . . . . 0.0 110.755 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.15 155.07 31.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.775 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -98.86 31.68 2.88 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.629 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -147.74 119.02 7.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.812 0.339 . . . . 0.0 111.016 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 62.93 120.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -68.09 124.69 24.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.05 -23.51 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.574 ' N ' HD22 ' A' ' 35' ' ' LEU . 48.8 t30 -53.49 -34.96 59.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 ttt -50.71 -65.43 0.56 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.812 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -56.6 -24.29 46.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -66.82 -47.6 71.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.796 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 73' ' ' TYR . 19.7 t -64.5 -35.81 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.2 mt -62.0 -42.93 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -74.13 -41.47 61.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -73.17 -57.85 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -51.5 -30.84 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -40.2 53.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -32.95 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 60.1 m-80 -71.73 -53.87 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -48.02 -57.58 5.59 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.84 -27.77 63.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.615 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.635 ' OH ' HD12 ' A' ' 97' ' ' LEU . 37.5 m-85 -81.34 -29.43 34.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.664 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.6 t80 -80.07 -29.93 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.35 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -27.71 22.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.87 -46.77 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.684 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' LYS . 7.4 m170 -107.49 9.78 29.51 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.1 t80 64.05 -66.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.431 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -65.17 157.14 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.22 -169.19 2.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.541 ' HZ ' HD11 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -144.78 -159.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.498 ' HB2' HG23 ' A' ' 88' ' ' THR . 1.3 t0 -58.32 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.337 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -116.48 167.15 11.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.006 0.431 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.541 HD11 ' HZ ' ' A' ' 68' ' ' PHE . 19.1 mt -128.78 148.58 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.19 165.25 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.23 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.871 ' HB3' HG11 ' A' ' 49' ' ' VAL . 6.7 p90 -158.33 159.45 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.627 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -161.97 157.01 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.492 . . . . 0.0 111.363 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.716 HD13 ' H ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -117.15 140.06 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -115.53 91.5 3.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.734 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 62.68 144.11 0.07 OUTLIER Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.734 ' HD2' HG22 ' A' ' 77' ' ' THR . 74.2 Cg_endo -76.09 -27.22 8.49 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.276 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 79' ' ' ILE . 22.1 mm -110.24 37.79 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.704 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -138.98 -109.89 0.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.564 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 82' ' ' LEU . 46.2 m-85 -137.07 169.81 17.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.983 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 81' ' ' PHE . 6.0 mp -125.78 142.41 51.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.248 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -129.87 141.61 50.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 111.865 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.456 HD13 ' HB3' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -120.16 138.32 51.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.395 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -129.44 106.27 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 98' ' ' LEU . 7.2 tt -106.83 101.06 35.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.448 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 10.3 Cg_exo -70.83 106.47 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.517 2.145 . . . . 0.0 111.763 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.498 HG23 ' HB2' ' A' ' 69' ' ' ASP . 3.1 m -159.93 171.36 19.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.975 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 26' ' ' THR . 3.1 tp -116.39 -5.77 11.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.45 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 97' ' ' LEU . 19.1 p90 44.22 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 111.398 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -155.6 -43.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -71.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -23.75 26.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.1 p30 42.75 33.21 0.45 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.726 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -83.27 135.69 34.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 90' ' ' PHE . 2.8 tp -169.2 -72.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.806 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 86' ' ' ILE . 4.4 mt -88.02 -17.6 30.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.204 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -24.61 16.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -45.28 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.761 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -65.07 -32.37 74.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.744 ' HG ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -79.14 -27.42 42.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.54 -28.95 62.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 105' ' ' LEU . 7.5 tp -84.76 -41.62 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 105' ' ' LEU . 3.8 pp -74.55 -33.75 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' HD12 ' A' ' 105' ' ' LEU . 69.0 t60 -77.1 -48.35 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -57.93 -38.81 76.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.61 -30.56 64.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 tt -95.15 -0.41 53.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.14 -30.8 34.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.12 -50.59 73.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.4 OUTLIER 177.58 -69.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.082 0.467 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.591 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.4 p 43.61 38.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.548 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.332 -179.732 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.493 ' HA ' HD13 ' A' ' 89' ' ' LEU . 3.1 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.85 0.357 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -116.62 109.43 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -93.23 138.61 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.28 136.05 26.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -135.62 126.68 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.184 -179.438 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -101.91 149.01 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.731 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.527 HG23 ' CE2' ' A' ' 81' ' ' PHE . 27.7 mm -110.88 91.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.237 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.689 HD22 ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -78.57 141.99 37.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 0.0 110.682 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' H ' HD23 ' A' ' 105' ' ' LEU . 22.1 t 65.13 132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.313 0.578 . . . . 0.0 110.946 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.81 -65.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.231 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -35.95 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.76 -76.32 0.41 Allowed Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.097 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.49 -73.72 0.07 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 111.129 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 119.19 30.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.104 0.478 . . . . 0.0 110.892 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -143.35 38.25 1.39 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.063 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tt -111.93 -32.66 6.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -90.46 -35.37 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.115 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 t 60.52 41.57 15.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -78.09 -4.52 47.77 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -56.14 -65.46 0.6 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.75 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.67 -27.92 69.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.67 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -66.17 -41.14 90.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 73' ' ' TYR . 22.0 t -67.95 -43.56 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.96 -36.64 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.063 0.458 . . . . 0.0 110.538 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -76.04 -52.18 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -66.53 -54.17 26.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.77 56.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.812 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -43.63 22.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.634 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -61.35 -31.08 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.314 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 49.4 m-80 -73.32 -49.0 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.588 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.27 -59.38 4.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -26.47 66.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.659 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.44 75.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.5 m-85 -80.92 -34.86 33.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.9 t80 -77.35 -25.24 50.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.21 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -87.39 -33.82 18.99 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.298 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -92.84 -50.88 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.19 9.75 29.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.588 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER 46.97 29.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.218 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.6 -175.59 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.788 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.02 143.18 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -151.64 35.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -166.67 158.74 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -128.97 147.7 50.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 86' ' ' ILE . 16.1 mt -130.16 135.09 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 0.0 111.441 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.34 172.98 12.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.903 ' HB2' HD13 ' A' ' 84' ' ' ILE . 4.7 p90 -159.73 158.34 31.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.158 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.36 163.71 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.288 0.565 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.848 HD13 ' N ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -143.61 141.36 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.68 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.848 ' N ' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -161.39 -164.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 76' ' ' SER . 1.3 p 67.49 141.49 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.6 -12.46 24.64 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.482 2.121 . . . . 0.0 112.834 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.89 19.43 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.271 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.21 87.75 0.05 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.575 0.226 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.527 ' CE2' HG23 ' A' ' 32' ' ' ILE . 4.3 t80 -125.47 122.67 37.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 33' ' ' LEU . 4.0 mm? -92.33 111.01 22.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.8 m -103.58 97.36 7.41 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.903 HD13 ' HB2' ' A' ' 73' ' ' TYR . 8.7 mm -84.05 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.018 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 30' ' ' GLU . 25.8 m-85 -129.34 96.56 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.735 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.576 HD13 HD21 ' A' ' 98' ' ' LEU . 4.7 tt -97.08 104.41 18.98 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.025 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 10.7 Cg_endo -90.23 118.69 0.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.983 2.455 . . . . 0.0 112.562 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 t -139.98 163.81 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 26' ' ' THR . 4.3 mm? -90.17 -34.92 15.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.739 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 89' ' ' LEU . 31.5 t80 52.78 114.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.454 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.23 -77.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.803 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -20.71 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -49.67 -43.52 47.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.2 m120 48.47 27.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.27 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtt -171.96 34.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.46 111.23 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.71 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -120.49 86.26 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.576 HD21 HD13 ' A' ' 86' ' ' ILE . 1.1 mt -73.71 -10.18 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 103' ' ' LEU . 12.9 mmtt -56.21 -19.94 15.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.672 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.86 -50.19 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.904 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -61.17 -48.54 81.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.589 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.522 HD12 HD21 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -60.73 -33.92 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.656 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 99' ' ' LYS . 1.7 mt -70.46 -38.72 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 101' ' ' ALA . 11.0 mt -59.15 -50.54 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER -65.04 -50.47 66.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.835 0.35 . . . . 0.0 110.39 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.822 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -57.56 -58.39 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 111.119 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -21.23 53.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -38.26 71.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.662 0.268 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.407 HD23 HG11 ' A' ' 113' ' ' VAL . 8.0 mt -99.92 -41.33 7.26 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.135 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.36 -27.81 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.18 -64.48 0.93 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.681 0.276 . . . . 0.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.43 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.4 OUTLIER 176.73 -59.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 110.707 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.603 ' O ' HG22 ' A' ' 113' ' ' VAL . 13.8 p 44.32 42.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.368 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.589 -179.732 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.73 0.3 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.587 ' HA ' HD13 ' A' ' 89' ' ' LEU . 0.9 OUTLIER 70.92 -64.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.804 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 133.78 55.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -142.68 142.78 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.865 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -135.39 126.67 28.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.206 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mp -111.95 132.07 54.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -89.85 148.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.781 HD11 HG12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -139.88 157.02 46.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.3 t -154.77 121.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -179.98 7.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.192 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.17 -44.78 59.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.006 0.431 . . . . 0.0 110.998 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.25 31.43 2.22 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 114.0 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 110.735 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.18 172.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.75 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -94.94 79.86 3.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -150.42 125.76 10.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 32.46 4.72 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.943 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.31 -35.62 15.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -62.39 -34.77 77.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -57.76 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 mtp -59.84 -47.96 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HA ' HG22 ' A' ' 50' ' ' ILE . 5.3 tptt -57.85 -29.18 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -70.43 -39.22 74.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.689 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.891 HG11 ' HB3' ' A' ' 73' ' ' TYR . 16.9 t -71.51 -54.7 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 47' ' ' LYS . 5.2 tp -52.52 -30.25 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.88 -40.37 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -80.92 -53.86 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 71' ' ' ILE . . . -55.04 -28.46 52.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -81.74 -40.89 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.779 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.34 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 80.8 m-20 -72.89 -47.25 47.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -49.17 -56.91 7.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.974 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.5 -27.12 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -58.44 -36.53 73.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.4 m-85 -82.02 -34.44 29.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -25.49 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.5 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -44.16 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -102.14 9.6 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 43.15 31.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -151.58 174.94 12.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.018 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 tt0 -139.65 127.03 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -146.62 -46.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.563 ' OD2' HD13 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -70.19 108.23 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 7.7 mttp -103.96 158.48 16.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.579 HD12 HD23 ' A' ' 57' ' ' LEU . 11.1 mt -133.76 146.02 32.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.27 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.05 120.39 15.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.891 ' HB3' HG11 ' A' ' 49' ' ' VAL . 36.1 p90 -120.86 146.68 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.289 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -154.89 152.6 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.039 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.827 HG22 ' CD1' ' A' ' 82' ' ' LEU . 3.0 pt -102.77 153.53 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -133.47 97.68 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.983 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.65 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 11.8 t -74.37 -30.4 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.007 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 77' ' ' THR . 37.4 Cg_exo -56.96 -34.45 97.43 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.038 1.825 . . . . 0.0 112.245 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -112.29 -10.98 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.384 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 t30 66.76 41.34 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -136.52 155.31 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.827 ' CD1' HG22 ' A' ' 75' ' ' ILE . 3.6 mm? -105.2 128.18 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.443 ' C ' HD13 ' A' ' 84' ' ' ILE . 4.6 t -121.43 109.83 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.781 HG12 HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -98.93 93.26 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.476 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.8 t80 -78.83 84.63 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.039 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.599 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.8 106.2 9.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.389 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.8 Cg_exo -78.7 113.88 3.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.831 2.354 . . . . 0.0 112.116 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -150.79 139.16 20.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.985 0.422 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -95.42 -21.75 18.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.742 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.2 t80 61.28 119.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.1 0.476 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.94 -51.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.63 -43.43 80.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -54.23 -33.15 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.9 t30 48.8 29.79 2.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.6 mtt -156.02 -79.8 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.503 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.0 p30 -177.18 -172.61 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 98' ' ' LEU . 1.1 pt? -174.56 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.603 HD22 ' HG ' ' A' ' 97' ' ' LEU . 1.5 mm? -63.89 -23.16 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 103' ' ' LEU . 7.1 tttp -54.12 -28.54 40.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.348 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -82.87 -38.63 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.75 -39.03 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 102' ' ' LEU . 4.1 pp -74.99 -26.82 59.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 99' ' ' LYS . 13.9 mt -76.63 -46.71 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.742 HD12 ' N ' ' A' ' 105' ' ' LEU . 2.6 pp -63.28 -46.71 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.598 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.742 ' N ' HD12 ' A' ' 104' ' ' ILE . 3.5 pp -63.7 -41.34 98.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.708 0.29 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.725 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.2 m80 -67.48 -40.88 85.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.651 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -30.63 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.87 -37.34 55.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.92 -34.05 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -14.01 62.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -55.76 -30.46 61.3 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.713 0.292 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.47 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -174.12 -70.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.582 ' O ' HG22 ' A' ' 113' ' ' VAL . 12.7 p 43.92 36.83 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.631 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.766 0.317 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.65 145.08 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -144.62 128.69 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 86' ' ' ILE . 35.6 mt-30 -133.65 143.56 48.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -131.89 113.31 13.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.79 HD12 ' CG2' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -88.21 122.38 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.12 103.36 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.6 ' HB2' HD12 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -95.21 152.71 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.304 0.573 . . . . 0.0 110.854 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.7 t 70.28 129.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.081 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' HB2' HD21 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -110.94 -69.48 0.87 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.989 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -153.08 93.01 1.68 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.108 0.48 . . . . 0.0 110.535 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.92 165.86 12.42 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.636 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.73 173.55 1.94 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt 69.38 -66.62 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.03 -56.62 2.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.287 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' HB ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER 60.22 -176.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.969 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -176.92 128.93 0.17 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.499 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -107.51 24.27 13.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.809 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -86.3 -3.3 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.412 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.8 m120 -52.75 -34.66 53.84 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.37 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 ptp -65.66 -35.94 82.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.886 0.374 . . . . 0.0 110.783 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' HG22 ' A' ' 50' ' ' ILE . 2.1 tptp -73.2 -25.11 60.63 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -37.68 65.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 84' ' ' ILE . 7.9 t -74.76 -45.41 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.739 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 47' ' ' LYS . 19.1 tt -59.18 -29.32 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.279 0.562 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.49 -52.82 8.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.451 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -67.49 -34.36 76.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.479 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.23 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.46 -49.73 17.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -41.28 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.422 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 19.6 m120 -64.35 -49.11 72.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.75 -62.0 1.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -57.46 -28.38 63.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -57.98 -36.78 73.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.1 m-85 -79.2 -37.85 37.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 3.9 t80 -70.41 -27.92 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -87.82 -29.28 21.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.531 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.8 -47.73 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' PHE . 87.9 m-70 -118.11 9.39 12.66 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' HIS . 14.5 t80 58.11 131.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.945 0.403 . . . . 0.0 111.542 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' N ' ' HA ' ' A' ' 61' ' ' PHE . 7.3 mmtm 61.56 130.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.25 163.46 27.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -129.68 -44.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.017 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -91.83 146.05 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -117.44 152.55 34.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.781 HD12 HD12 ' A' ' 86' ' ' ILE . 5.0 tt -137.69 118.37 16.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.932 0.396 . . . . 0.0 111.758 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -97.52 128.17 44.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.086 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.508 ' HB3' HD13 ' A' ' 84' ' ' ILE . 19.2 p90 -133.7 143.55 48.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.0 111.292 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 158.28 34.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.756 ' HA ' HD22 ' A' ' 82' ' ' LEU . 4.3 tt -103.18 126.76 57.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.697 0.76 . . . . 0.0 110.96 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -87.95 116.31 26.03 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.671 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 64.08 144.93 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.561 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.671 ' HD2' HG22 ' A' ' 77' ' ' THR . 10.3 Cg_endo -52.0 -34.51 57.17 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.427 2.085 . . . . 0.0 112.375 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.428 ' HB ' HD13 ' A' ' 41' ' ' LEU . 1.3 pt -155.79 75.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.009 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -146.03 -77.56 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.434 0.459 . . . . 0.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.409 ' CZ ' ' O ' ' A' ' 35' ' ' LEU . 6.5 m-85 -136.98 169.64 17.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 111.139 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.756 HD22 ' HA ' ' A' ' 75' ' ' ILE . 1.8 tm? -122.24 125.02 45.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.321 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.64 ' N ' HD13 ' A' ' 82' ' ' LEU . 1.3 m -108.99 124.71 51.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.918 HD11 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -130.03 112.85 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.86 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.46 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 95.8 m-85 -117.27 111.96 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.851 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.781 HD12 HD12 ' A' ' 71' ' ' ILE . 7.8 tt -101.22 99.92 12.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.59 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 84.9 Cg_endo -85.69 126.07 2.93 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.547 2.164 . . . . 0.0 112.148 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 t -162.54 135.12 5.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 1.3 tp -59.02 -19.64 45.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.506 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 61.3 t80 65.12 131.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.43 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.35 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -22.94 45.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -95.13 25.85 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 2.3 t30 -56.0 -22.13 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.0 mtm -89.6 14.19 12.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.401 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.3 102.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.78 -3.88 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.386 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 86' ' ' ILE . 3.6 mm? -64.27 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 111.299 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -24.5 8.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.76 -33.58 68.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.332 0.586 . . . . 0.0 110.638 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -81.38 -38.95 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.93 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.753 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.3 tm? -70.62 -31.83 68.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.533 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -45.1 19.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.733 0.301 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.3 tp -58.07 -39.11 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.141 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.856 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -75.23 -38.85 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.882 0.372 . . . . 0.0 111.003 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.856 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.4 t-80 -72.17 -59.95 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -53.2 -33.22 51.86 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.416 ' HA ' HG11 ' A' ' 113' ' ' VAL . 6.9 t70 -65.65 -63.28 1.13 Allowed 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' A' ' 35' ' ' LEU . 14.0 tp -66.34 -21.97 66.26 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -59.79 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -86.62 -64.99 1.06 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.338 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.458 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER 168.97 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.018 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.8 p 43.95 38.02 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.613 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.757 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.681 0.277 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 4.1 t 74.0 -62.27 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.84 129.95 55.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.528 ' NE2' HD22 ' A' ' 98' ' ' LEU . 1.2 tt0 -137.96 143.19 40.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 2.0 pt-20 -135.39 137.2 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.959 0.409 . . . . 0.0 111.665 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 HG21 ' A' ' 84' ' ' ILE . 1.2 mt -115.36 110.99 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.468 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.55 126.77 36.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.397 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.803 HD23 ' HB3' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -131.06 -178.06 4.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.326 178.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.614 ' HB ' HD21 ' A' ' 109' ' ' LEU . 38.6 t -152.07 121.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -78.14 165.03 24.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.894 179.54 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.695 ' H ' HD23 ' A' ' 35' ' ' LEU . 10.8 ptmt -140.39 123.19 16.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.163 0.506 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.24 102.34 1.25 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.736 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.37 95.85 4.97 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.016 0.436 . . . . 0.0 110.699 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 mt 62.73 -80.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.752 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -90.54 93.72 9.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.634 0.254 . . . . 0.0 110.587 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.636 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.0 tt -80.19 65.87 5.49 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.712 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.08 25.49 11.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p 50.03 81.79 0.06 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.28 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.39 -28.79 23.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.2 m120 -53.2 -43.56 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.332 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -60.66 -29.96 69.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.214 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -34.15 68.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.619 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.7 t -66.51 -51.45 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.575 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.438 ' HB ' ' CZ ' ' A' ' 73' ' ' TYR . 1.7 tt -59.06 -30.26 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -47.76 57.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.185 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -72.7 -35.44 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.666 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -65.29 -29.71 70.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.831 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -43.0 36.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -59.41 -35.25 73.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.988 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 7.1 m120 -71.3 -51.43 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.557 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 53' ' ' ALA . 2.2 mt -52.77 -58.28 7.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.085 0.469 . . . . 0.0 110.755 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.2 -27.7 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -35.56 74.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.533 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.446 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 6.9 m-85 -78.58 -37.41 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.361 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.0 t80 -76.78 -20.29 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.021 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.77 -31.65 19.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -52.16 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.964 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -102.44 9.81 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.7 t80 47.18 29.18 1.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.679 0.276 . . . . 0.0 111.298 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.32 151.96 31.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -76.45 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 55.71 29.76 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.626 ' OD2' HG23 ' A' ' 88' ' ' THR . 0.7 OUTLIER -176.12 137.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 mtpm? -127.09 161.88 27.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.485 HG23 ' HB ' ' A' ' 86' ' ' ILE . 20.6 mt -138.92 144.73 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.182 0.515 . . . . 0.0 111.506 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.22 152.0 48.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.706 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.619 ' HB3' HG11 ' A' ' 49' ' ' VAL . 11.8 p90 -143.98 147.09 33.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -164.22 168.78 18.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.549 HG22 HD12 ' A' ' 82' ' ' LEU . 4.8 pt -131.02 165.99 29.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.86 -171.93 0.94 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.629 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 63.69 141.8 0.06 OUTLIER Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HD2' HG22 ' A' ' 77' ' ' THR . 61.9 Cg_endo -73.21 -7.11 20.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.33 2.02 . . . . 0.0 113.226 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 pt -95.12 23.68 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.227 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 55.19 49.47 17.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.998 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -86.53 131.22 34.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.775 HD11 HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.14 131.89 46.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.96 0.41 . . . . 0.0 111.061 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.86 113.84 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.586 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.499 HG21 HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -100.2 117.65 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.293 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.451 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 15.6 m-85 -102.44 84.83 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.751 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.491 HG23 ' HB3' ' A' ' 29' ' ' GLN . 7.1 tt -93.74 105.22 15.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.77 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 2.9 Cg_exo -75.39 111.36 3.29 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.62 2.214 . . . . 0.0 111.678 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.626 HG23 ' OD2' ' A' ' 69' ' ' ASP . 11.3 m -148.9 140.48 23.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 3.2 mm? -70.15 -27.65 64.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.475 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.548 ' H ' HG22 ' A' ' 88' ' ' THR . 40.1 t80 73.95 142.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 90' ' ' PHE . 11.4 t0 81.6 1.08 1.55 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.342 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -31.46 31.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.962 0.41 . . . . 0.0 110.57 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -103.35 1.56 32.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.226 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.36 60.97 0.16 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.019 0.437 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.7 mtt 59.18 41.18 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.46 86.38 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.66 -73.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.528 HD22 ' NE2' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -68.96 -27.59 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -32.52 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -82.36 -36.5 26.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -73.42 -34.39 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -77.05 -33.89 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.26 -27.6 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.309 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 101' ' ' ALA . 2.0 tp -79.64 -39.13 20.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.293 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.6 pp -70.94 -37.64 72.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 110.718 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.82 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -70.19 -47.63 60.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 111.334 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.72 -51.58 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.33 67.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.87 -42.63 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -81.88 -8.95 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.676 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.09 1.4 36.15 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.512 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -120.85 -34.78 3.48 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 120.726 0.298 . . . . 0.0 110.72 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.614 ' O ' HG22 ' A' ' 113' ' ' VAL . 8.8 p -92.6 48.11 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.147 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.083 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.368 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.681 ' HA ' HD22 ' A' ' 89' ' ' LEU . 1.8 m 71.37 -64.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -134.19 127.72 32.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.4 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HB3' HG23 ' A' ' 86' ' ' ILE . 2.8 tp60 -140.03 143.24 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 4.3 pt-20 -136.07 121.79 19.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.555 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 ' HG ' ' A' ' 102' ' ' LEU . 2.1 mp -97.98 100.02 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.572 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -98.98 130.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.599 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.835 ' CB ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.48 -160.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.624 179.674 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.887 ' HA ' HD22 ' A' ' 109' ' ' LEU . 20.9 t 63.93 124.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' CE1' ' A' ' 81' ' ' PHE . 2.4 tp -132.29 175.14 9.53 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.818 0.699 . . . . 0.0 111.216 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt 67.51 -67.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.72 -98.06 1.79 Allowed Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.938 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 176.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 39' ' ' LEU . 12.0 tp 58.47 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 110.888 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' HB3' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -109.93 -170.22 1.61 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.911 0.386 . . . . 0.0 110.999 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' A' ' 40' ' ' ASP . 7.5 mp 64.13 -76.54 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.69 98.0 6.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.495 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -86.83 139.01 31.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.59 -29.02 22.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -57.39 -61.31 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -56.65 -37.18 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.5 ' HA ' HG22 ' A' ' 50' ' ' ILE . 6.9 tttt -70.28 -25.27 63.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.011 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.761 ' OD1' HD11 ' A' ' 104' ' ' ILE . 11.8 m-20 -72.52 -34.33 67.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.866 HG21 HD11 ' A' ' 84' ' ' ILE . 12.3 t -79.22 -45.4 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 111.488 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' A' ' 47' ' ' LYS . 6.0 tp -57.28 -36.72 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.27 -56.84 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -59.84 -45.57 91.99 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.806 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 71' ' ' ILE . . . -59.79 -28.92 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -46.06 70.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.43 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.55 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 18.2 m120 -65.19 -56.7 11.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mt -51.08 -58.04 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.121 0.486 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.89 -28.18 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.743 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -58.85 -35.91 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.563 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 69' ' ' ASP . 16.7 m-85 -78.99 -37.23 39.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.749 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -75.06 -24.8 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -87.63 -33.39 18.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.222 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -52.14 3.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.911 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -106.49 9.62 31.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.501 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER 49.11 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.746 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.23 167.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.047 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -95.79 112.09 23.9 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -145.86 152.75 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.439 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER 63.46 105.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.054 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 tppt? -115.99 163.35 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.998 HD12 HD12 ' A' ' 86' ' ' ILE . 20.0 tt -149.18 103.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.44 ' H ' ' HD3' ' A' ' 87' ' ' PRO . 71.0 m -93.64 116.61 29.11 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.796 ' HB2' HD13 ' A' ' 84' ' ' ILE . 25.0 p90 -110.1 147.7 33.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.137 0.494 . . . . 0.0 111.523 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -165.5 168.99 16.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.332 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 82' ' ' LEU . 2.2 pp -114.24 137.62 46.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.3 t -132.45 -169.66 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.451 0.643 . . . . 0.0 110.754 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.6 p 63.13 130.31 0.03 OUTLIER Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.078 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.27 -24.92 28.47 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.605 2.203 . . . . 0.0 113.044 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.566 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.5 mp -72.98 -7.76 10.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.832 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.1 t30 70.27 81.68 0.16 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.437 ' CZ ' ' HB ' ' A' ' 79' ' ' ILE . 22.1 m-85 -119.34 161.59 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 34' ' ' VAL . 7.7 tp -92.21 99.62 12.38 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.774 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.6 m -100.84 95.93 6.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 49' ' ' VAL . 1.1 mm -92.94 129.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.229 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.59 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -124.58 88.03 2.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.908 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.998 HD12 HD12 ' A' ' 71' ' ' ILE . 16.2 tt -84.74 102.57 2.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 123.47 0.481 . . . . 0.0 111.767 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.59 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.4 Cg_endo -87.69 117.72 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.987 2.458 . . . . 0.0 111.671 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.8 t -167.91 143.05 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.199 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 27' ' ' SER . 3.5 mm? -91.19 86.5 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -57.03 99.93 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.1 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.493 -1.23 . . . . 0.0 111.076 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -58.09 2.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.168 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -52.69 -28.56 22.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 55.85 27.29 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.42 -79.26 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.68 94.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 78.97 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 86' ' ' ILE . 4.9 mt -88.02 -26.07 22.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.042 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -55.84 -24.58 37.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.411 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -80.6 -37.22 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -62.23 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.862 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.617 ' HG ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -76.84 -29.96 56.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.9 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.78 58.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.761 HD11 ' OD1' ' A' ' 48' ' ' ASN . 8.6 tp -81.13 -37.63 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.835 HD13 ' CB ' ' A' ' 33' ' ' LEU . 4.5 pp -76.97 -37.21 55.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.817 0.341 . . . . 0.0 110.734 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.742 ' N ' HD12 ' A' ' 105' ' ' LEU . 8.9 t-160 -71.13 -48.75 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.19 -50.13 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.05 -28.57 64.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.887 HD22 ' HA ' ' A' ' 34' ' ' VAL . 45.8 tp -94.4 -16.45 23.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.328 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -55.28 -19.56 8.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.548 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.76 1.45 17.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -143.89 -49.47 0.3 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.872 0.368 . . . . 0.0 111.238 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 113' ' ' VAL . 14.4 p -61.66 102.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.278 0.561 . . . . 0.0 110.99 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.723 179.794 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.707 0.289 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER 83.69 -16.76 0.52 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.728 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -133.71 127.25 32.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.936 0.398 . . . . 0.0 111.485 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.744 HE21 ' HA ' ' A' ' 29' ' ' GLN . 1.1 mm-40 -147.67 141.85 26.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.609 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.58 137.12 41.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.675 HD22 HD21 ' A' ' 105' ' ' LEU . 6.4 mt -133.56 114.13 13.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.429 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 1.1 pt -79.46 149.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.487 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD23 ' CG2' ' A' ' 34' ' ' VAL . 2.5 tt -132.07 155.44 48.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.613 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 ' HA ' HD13 ' A' ' 109' ' ' LEU . 14.0 t 71.59 132.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -52.99 1.11 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.897 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -167.07 97.83 0.52 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.809 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.39 -74.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.548 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.54 147.27 35.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mp -135.57 -57.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.924 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.756 ' O ' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -60.36 -73.27 0.09 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.668 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 40' ' ' ASP . 1.7 mm? -137.89 179.79 6.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -153.27 -67.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.951 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m 70.4 -62.57 0.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.05 -27.27 2.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.479 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.18 -66.46 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.403 0.44 . . . . 0.0 111.092 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.42 ' HB3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -57.13 -31.02 64.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HA ' HG22 ' A' ' 50' ' ' ILE . 60.4 mmtt -76.51 -23.4 53.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -75.18 -36.8 61.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.737 HG11 ' CB ' ' A' ' 73' ' ' TYR . 16.1 t -76.08 -44.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.165 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 47' ' ' LYS . 4.9 tp -59.98 -43.41 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.47 ' N ' HG23 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -64.65 -54.5 30.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.765 ' ND2' HG21 ' A' ' 104' ' ' ILE . 3.9 m120 -60.62 -46.31 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.867 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -57.29 -31.04 65.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -35.49 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.521 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.45 -51.14 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.583 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 65.4 m-80 -59.83 -56.5 21.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -48.09 -57.62 5.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.72 -28.64 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -36.82 70.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 18.8 m-85 -82.24 -33.04 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.588 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -73.34 -27.81 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -87.57 -26.94 22.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.322 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -97.58 -48.54 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.355 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -96.23 9.81 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.752 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 4.6 t80 51.17 26.49 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.242 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 149.15 26.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.27 115.39 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -128.54 168.64 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.65 127.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 151.72 35.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.826 HG21 ' HB1' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -145.15 126.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 111.417 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.495 ' N ' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -114.73 116.91 29.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.665 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.919 ' HB2' HD12 ' A' ' 84' ' ' ILE . 3.8 p90 -111.47 154.65 24.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -161.28 152.5 18.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.343 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.54 HG23 ' CD1' ' A' ' 82' ' ' LEU . 4.0 mp -106.64 154.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.18 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 75' ' ' ILE . 3.1 m -122.02 110.31 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -81.62 -49.77 0.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.721 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.1 Cg_exo -47.12 -26.57 5.35 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.54 2.16 . . . . 0.0 113.09 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 79' ' ' ILE . 18.2 mt -130.86 12.99 2.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 43.28 30.98 0.34 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.078 0.466 . . . . 0.0 111.361 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 31.0 t80 -107.85 166.9 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.236 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.54 ' CD1' HG23 ' A' ' 75' ' ' ILE . 1.5 tp -122.15 136.84 54.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.944 0.402 . . . . 0.0 111.232 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.532 ' C ' HD13 ' A' ' 84' ' ' ILE . 1.7 t -131.94 115.93 16.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.919 HD12 ' HB2' ' A' ' 73' ' ' TYR . 6.2 mm -112.03 93.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 111.471 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -84.63 85.55 7.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.089 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 86' ' ' ILE . 15.7 tt -83.15 106.55 7.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.66 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD3' ' H ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -83.74 116.23 2.2 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.905 2.403 . . . . 0.0 111.883 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -160.23 143.31 13.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.287 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 45.5 tp -86.14 -16.6 37.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.33 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.61 ' CD1' HD22 ' A' ' 97' ' ' LEU . 8.9 t80 63.42 125.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.96 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.671 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -57.23 13.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -57.9 -26.06 61.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 53.42 27.71 6.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.252 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -162.48 -77.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -121.93 -175.07 3.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -167.18 -37.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.252 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.674 HD21 ' OE1' ' A' ' 29' ' ' GLN . 1.7 mp -87.99 -20.26 26.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.257 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 103' ' ' LEU . 2.4 tttm -54.32 -26.35 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.31 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -83.23 -43.46 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.694 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.635 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -75.15 -26.65 59.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.048 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 1.1 tt -80.9 -32.38 34.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 99' ' ' LYS . 3.4 mm? -76.76 -28.68 55.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.765 HG21 ' ND2' ' A' ' 52' ' ' ASN . 1.1 pp -82.67 -38.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.675 HD21 HD22 ' A' ' 31' ' ' LEU . 3.8 pp -78.14 -36.39 47.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 21.1 t60 -71.35 -53.85 12.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.04 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 103' ' ' LEU . 69.8 m-20 -59.64 -30.95 69.09 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.928 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.522 ' HA ' HG11 ' A' ' 113' ' ' VAL . 15.1 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.029 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 34' ' ' VAL . 3.9 tp -99.51 -0.81 39.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.861 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -72.35 0.31 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.322 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -86.91 -64.57 1.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.412 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.4 OUTLIER 171.58 -55.69 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 -179.56 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 113' ' ' VAL . 11.7 p 43.59 47.04 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.24 0.574 0 CA-C-O 120.918 0.389 . . . . 0.0 110.912 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.519 ' N ' HD13 ' A' ' 89' ' ' LEU . 2.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.716 0.293 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.441 ' HB2' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -136.34 -172.19 3.08 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.197 0.522 . . . . 0.0 111.478 -179.529 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -120.73 146.61 46.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB2' HG23 ' A' ' 86' ' ' ILE . 55.1 mm-40 -134.98 143.14 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.36 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.52 128.45 31.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 84' ' ' ILE . 1.8 mp -98.18 114.2 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 32' ' ' ILE . 11.7 tt -77.74 109.0 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.7 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 105' ' ' LEU . 3.4 mt -100.78 128.98 46.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.228 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 t -115.71 104.25 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.272 0.558 . . . . 0.0 111.21 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.737 HD11 ' OG ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -96.78 157.81 15.72 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.024 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.62 75.12 9.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.958 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.36 138.88 25.87 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.424 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.42 49.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.5 tp 62.35 42.22 9.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.782 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -149.52 125.85 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.559 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.45 99.15 9.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.043 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -154.14 42.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.737 ' OG ' HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -128.09 124.41 36.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.991 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -86.6 -3.34 59.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.394 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -40.17 -57.53 1.68 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 111.965 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -53.86 51.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 50' ' ' ILE . 7.4 ttmt -60.19 -25.95 65.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.84 -41.38 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.368 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.792 HG11 ' HB3' ' A' ' 73' ' ' TYR . 62.1 t -61.34 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 47' ' ' LYS . 6.5 mt -60.29 -37.18 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -50.01 14.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -55.3 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.548 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -54.91 -30.91 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -81.9 -52.24 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -58.21 -44.5 88.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 71.2 m-20 -62.77 -56.56 16.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.619 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.816 ' HG ' HD12 ' A' ' 71' ' ' ILE . 36.3 mt -48.04 -60.03 2.92 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.44 -27.54 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -36.45 73.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.747 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 4.3 m-85 -84.49 -35.45 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.22 -29.1 65.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -87.26 -32.76 19.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.92 -48.54 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.073 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -97.73 9.79 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.606 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 63.43 -72.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.4 OUTLIER -127.34 100.44 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.812 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.09 -178.94 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.17 104.73 10.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -173.47 139.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -137.24 140.31 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.816 HD12 ' HG ' ' A' ' 57' ' ' LEU . 30.0 mt -133.8 132.37 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 111.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.28 174.27 10.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.761 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.901 ' HB2' HD13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -160.06 155.75 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -163.78 168.85 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 0.0 111.921 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 81' ' ' PHE . 3.4 mp -105.52 149.49 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.033 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.59 -177.55 6.56 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 111.275 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.612 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 70.37 142.42 0.09 OUTLIER Pre-proline 0 CA--C 1.518 -0.256 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.08 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.612 ' HD2' HG22 ' A' ' 77' ' ' THR . 88.9 Cg_exo -46.76 -31.51 10.75 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.701 2.268 . . . . 0.0 111.847 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 80' ' ' ASN . 8.1 mt -96.37 165.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.906 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.489 ' N ' HG22 ' A' ' 79' ' ' ILE . 2.5 m120 -64.57 72.71 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.934 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ILE . 2.1 t80 -95.66 127.52 41.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HB3' HD12 ' A' ' 33' ' ' LEU . 4.5 mm? -95.61 102.67 14.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.0 116.8 32.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.901 HD13 ' HB2' ' A' ' 73' ' ' TYR . 5.0 mm -86.76 142.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -129.27 86.69 2.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.253 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 29' ' ' GLN . 5.3 tt -95.51 104.31 15.44 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.613 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -83.45 121.04 2.93 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 t -172.11 172.61 4.57 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.21 0.528 . . . . 0.0 112.123 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 26' ' ' THR . 5.6 tp -108.33 91.81 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.614 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 27' ' ' SER . 9.0 p90 -62.53 84.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 110.744 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -178.01 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -58.26 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.621 ' CG ' HD21 ' A' ' 97' ' ' LEU . 1.4 m120 -61.53 -23.69 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.965 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.28 29.68 5.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.7 mtp -128.55 -80.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.14 -62.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 93' ' ' ASN . 10.9 mt 73.47 -60.35 0.53 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 86' ' ' ILE . 4.2 mt -51.83 -23.94 5.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.437 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -28.62 1.7 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -57.42 3.81 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.84 0.352 . . . . 0.0 110.124 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.68 -43.1 84.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.572 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -62.29 -30.79 71.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.696 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -25.34 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.8 mm -77.03 -44.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.775 ' CB ' HD23 ' A' ' 33' ' ' LEU . 1.5 pp -65.85 -34.96 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.758 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.24 -43.54 70.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.185 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.57 -29.39 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -30.16 41.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 0.0 111.13 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.27 -29.13 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.1 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -75.07 -6.95 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.598 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -55.06 -63.63 1.09 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.105 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.42 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -163.04 -72.03 0.05 OUTLIER 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.825 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.5 p 43.06 43.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.718 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 C--O 1.238 0.452 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.721 -179.837 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 t -145.04 72.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 117.96 24.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.517 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.5 tt0 -115.92 143.51 45.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.001 0.429 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -134.84 137.21 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.177 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 98' ' ' LEU . 4.8 mp -120.87 114.67 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 pt -78.04 119.61 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -106.05 -175.82 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.031 0.443 . . . . 0.0 110.895 179.795 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.543 ' H ' HD23 ' A' ' 33' ' ' LEU . 61.2 t -144.23 119.06 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -69.52 147.64 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.93 177.15 8.24 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.22 0.533 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.0 135.62 7.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.38 121.89 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 68.94 -67.05 0.22 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.688 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.69 170.83 18.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.686 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.55 105.29 1.46 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.2 -34.71 5.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m 60.67 56.75 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.17 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.537 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -56.95 -58.3 8.76 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -77.36 -23.05 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' OD1' HG21 ' A' ' 104' ' ' ILE . 18.5 t-20 -74.9 -35.11 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 84' ' ' ILE . 15.5 t -79.4 -42.33 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.5 tt -61.79 -36.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.74 -50.72 22.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.411 ' ND2' HG21 ' A' ' 104' ' ' ILE . 3.7 m-80 -66.53 -50.35 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -56.84 -28.16 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' A' ' 57' ' ' LEU . 4.0 mtmp? -78.27 -56.19 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.11 -36.0 67.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 70.9 m-20 -70.36 -42.65 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 54' ' ' LYS . 8.4 mt -51.95 -61.66 2.12 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.059 0.456 . . . . 0.0 110.851 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.06 -27.82 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -59.23 -34.81 72.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.445 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 8.7 m-85 -80.22 -34.61 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -70.75 -28.36 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.013 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -88.03 -32.3 18.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.409 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 -51.54 4.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.94 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -104.08 9.61 36.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.511 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 45.54 -164.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.441 179.702 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.24 107.99 0.84 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 179.99 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 36.9 p90 -56.59 156.79 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.445 ' CB ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -81.06 -154.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.663 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' A' ' 87' ' ' PRO . 1.6 tttt -123.17 150.92 42.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.713 HG23 ' CG1' ' A' ' 86' ' ' ILE . 10.3 mt -117.54 144.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.278 0.561 . . . . 0.0 111.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -138.33 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.227 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.855 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.5 p90 -160.07 153.89 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -149.92 160.76 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 35' ' ' LEU . 16.0 tt -114.21 136.12 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 m -104.79 84.48 2.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.814 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -58.27 -61.67 7.07 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.456 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.6 Cg_endo -54.15 -24.38 33.13 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.465 2.11 . . . . 0.0 112.262 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.5 mm -92.07 -15.77 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 64.64 21.32 12.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.63 168.65 19.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 4.0 mm? -104.64 138.21 41.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.92 94.28 4.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.357 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.855 HD13 ' HB2' ' A' ' 73' ' ' TYR . 2.7 mm -83.03 133.23 29.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.336 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.3 m-85 -129.22 101.06 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.716 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.713 ' CG1' HG23 ' A' ' 71' ' ' ILE . 5.8 tt -104.04 97.56 11.67 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 7.2 Cg_exo -72.77 105.89 2.01 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.587 2.191 . . . . 0.0 112.501 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.87 HG22 ' H ' ' A' ' 90' ' ' PHE . 53.1 m -132.92 148.14 52.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.471 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 tp -105.02 15.54 27.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.87 ' H ' HG22 ' A' ' 88' ' ' THR . 4.4 t80 60.37 120.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.43 . . . . 0.0 110.733 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.88 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.44 136.34 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' HB2' HD13 ' A' ' 97' ' ' LEU . 2.5 p-10 42.46 30.08 0.19 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.587 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -54.42 -25.95 27.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.1 mtm -60.62 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.71 147.19 5.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 93' ' ' ASN . 0.7 OUTLIER 179.74 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.94 -19.91 5.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.745 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -45.28 -27.85 0.72 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.056 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.09 -44.64 37.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.996 0.427 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.45 75.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -78.78 -29.32 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.893 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.92 -29.09 65.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.513 HG21 ' OD1' ' A' ' 48' ' ' ASN . 26.7 pt -84.72 -45.17 17.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.323 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.569 ' C ' HD12 ' A' ' 105' ' ' LEU . 2.9 pp -66.77 -33.87 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.444 ' N ' HD12 ' A' ' 105' ' ' LEU . 25.6 t-80 -76.5 -31.76 57.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.342 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -62.34 -38.84 91.06 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.692 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.29 -14.67 37.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -63.21 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.01 0.434 . . . . 0.0 111.009 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -63.41 -15.69 58.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.427 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -29.6 46.03 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.403 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.1 OUTLIER 179.9 -56.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.634 179.372 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.605 ' O ' HG22 ' A' ' 113' ' ' VAL . 9.8 p 43.27 48.88 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.542 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.84 179.808 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.762 0.315 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -101.86 102.81 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 134.25 35.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.4 mm-40 -134.4 143.39 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -135.26 137.18 42.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.277 -179.344 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.608 HD13 ' HB1' ' A' ' 101' ' ' ALA . 2.3 mt -107.64 148.84 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.648 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 32' ' ' ILE . 9.3 tp -109.96 124.67 66.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -123.03 154.9 37.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.797 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -148.23 117.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.138 0.494 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.591 HD22 ' HB2' ' A' ' 45' ' ' ASN . 3.1 tp -110.85 -165.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.862 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.99 130.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.02 27.85 3.32 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.663 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -94.92 97.19 9.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.215 0.531 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mt -117.69 -50.4 2.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.51 -49.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.222 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -134.85 116.25 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -176.5 69.84 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.1 p -105.93 30.45 5.83 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.727 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -38.4 87.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.724 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.669 ' C ' HD21 ' A' ' 45' ' ' ASN . 0.1 OUTLIER -70.37 -50.89 34.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG3' HD11 ' A' ' 75' ' ' ILE . 1.6 ttt -55.72 -53.17 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.3 -23.85 64.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.339 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -70.89 -37.55 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.205 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 73' ' ' TYR . 21.7 t -73.97 -48.18 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.194 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -57.33 -35.23 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.172 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -43.12 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' OD1' HD11 ' A' ' 104' ' ' ILE . 18.7 m120 -72.41 -53.51 12.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.826 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -56.12 -28.77 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -78.32 -47.81 16.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -42.3 75.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 29.4 m-20 -64.91 -62.75 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 53' ' ' ALA . 3.8 mt -44.27 -55.73 4.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 3.0 mt-10 -55.32 -38.83 69.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -24.65 61.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.022 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 98.6 m-85 -82.47 -54.59 5.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 58' ' ' GLU . 8.4 p90 -85.32 -28.32 25.32 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.885 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -87.49 -37.55 16.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.514 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.69 -51.68 4.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.581 0.229 . . . . 0.0 111.471 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -90.09 9.66 27.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.706 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 43.24 33.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 155.92 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -108.63 91.67 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -150.85 163.08 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.82 92.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.631 ' HA ' HD21 ' A' ' 57' ' ' LEU . 6.6 mttt -108.21 156.34 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.981 HD11 HD11 ' A' ' 97' ' ' LEU . 2.5 mp -133.97 146.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.283 0.564 . . . . 0.0 111.859 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.32 133.24 32.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.748 ' HB3' HG11 ' A' ' 49' ' ' VAL . 22.1 p90 -133.31 158.62 42.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -156.46 154.1 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.522 HD11 ' HG3' ' A' ' 46' ' ' MET . 4.7 mt -102.79 142.59 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.15 112.61 24.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.668 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -65.29 -61.8 5.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.505 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.0 Cg_endo -51.8 116.47 2.78 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.544 2.162 . . . . 0.0 112.571 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 79' ' ' ILE . 23.0 mm 72.6 9.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.66 62.76 2.47 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.744 ' C ' HD22 ' A' ' 82' ' ' LEU . 3.9 m-85 -107.22 162.31 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.632 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 81' ' ' PHE . 3.1 mm? -122.64 108.89 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.21 116.74 32.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.766 HG13 HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -115.82 131.33 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.469 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 4.9 m-85 -129.14 90.77 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.606 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -87.46 106.01 10.22 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.1 Cg_exo -79.75 111.79 2.81 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.722 2.281 . . . . 0.0 112.214 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.42 HG22 ' HG3' ' A' ' 29' ' ' GLN . 12.7 t -126.6 -177.15 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.35 -9.62 14.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.469 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 64.21 136.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.05 0.452 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.0 t70 70.34 25.41 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.8 81.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.611 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 58.89 24.39 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.007 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 p-10 -65.94 -31.21 72.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.1 mmm -70.71 -29.44 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.97 51.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.981 HD11 HD11 ' A' ' 71' ' ' ILE . 7.5 tt -169.04 -61.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 86' ' ' ILE . 4.4 tp -60.87 -29.58 69.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -32.91 70.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -49.57 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.608 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -59.07 -43.81 91.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.834 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 105' ' ' LEU . 4.1 mt -67.15 -29.94 69.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -29.52 66.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 101' ' ' ALA . 18.7 mt -76.25 -54.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 102' ' ' LEU . 3.0 pp -57.55 -30.04 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.066 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -53.64 11.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.518 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.55 -44.36 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 110.985 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.55 -24.87 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.528 ' HA ' HG13 ' A' ' 113' ' ' VAL . 4.8 tt -95.45 -32.68 12.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.09 -18.48 42.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.8 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -37.43 72.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.321 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -169.13 -49.98 0.02 OUTLIER 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.592 ' O ' HG13 ' A' ' 113' ' ' VAL . 10.6 p -69.81 65.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.134 0.492 . . . . 0.0 111.224 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.403 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . 14.6 t . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.009 0.433 . . . . 0.0 111.719 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.501 ' HG ' ' HE1' ' A' ' 90' ' ' PHE . 5.4 p -176.77 -165.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -176.48 138.11 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -116.02 143.19 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 1.9 pp20? -122.08 117.99 27.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.338 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HB3' HD21 ' A' ' 105' ' ' LEU . 1.2 mp -95.54 145.13 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.589 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 pt -112.3 133.37 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.458 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.745 HD22 ' H ' ' A' ' 34' ' ' VAL . 2.6 tm? -115.05 146.58 41.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.212 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.745 ' H ' HD22 ' A' ' 33' ' ' LEU . 29.8 t -123.52 107.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.361 0.6 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 ' OD1' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -87.23 53.49 2.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.982 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -74.09 135.06 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.77 56.73 1.48 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.166 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -148.25 120.82 8.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 110.742 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp -137.81 37.68 2.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.8 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.25 -51.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.779 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.608 ' C ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.82 168.81 10.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.47 ' N ' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -163.09 78.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.053 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.77 7.92 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.563 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -86.65 -35.1 19.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 0.0 111.001 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.58 ' OD1' HD11 ' A' ' 35' ' ' LEU . 5.9 m120 -58.7 -45.57 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.595 ' HB3' HD11 ' A' ' 75' ' ' ILE . 18.4 ptp -57.78 -45.41 86.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 50' ' ' ILE . 5.1 mtpp -67.61 -23.62 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -72.49 -41.55 65.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.692 HG11 ' CB ' ' A' ' 73' ' ' TYR . 19.6 t -67.46 -49.05 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.7 tt -60.61 -39.73 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.77 -44.2 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' HG21 ' A' ' 104' ' ' ILE . 13.0 m120 -66.66 -47.69 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -57.75 -30.65 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.66 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -78.22 -50.04 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -58.74 -33.12 69.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.596 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 77.7 m-20 -70.08 -49.19 53.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.703 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 53' ' ' ALA . 3.6 mt -49.75 -58.9 4.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 110.842 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.75 -30.43 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.779 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -36.46 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.7 m-85 -79.58 -34.73 40.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.9 t80 -77.39 -25.08 50.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.317 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -32.93 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.232 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -50.99 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -109.42 9.8 25.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.3 t80 47.35 29.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.737 0.304 . . . . 0.0 111.337 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 136.5 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -23.73 10.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.53 89.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.532 ' O ' HD21 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -179.37 106.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -104.95 154.06 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.438 ' CD1' ' HB1' ' A' ' 53' ' ' ALA . 46.3 mt -138.22 142.28 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.092 0.472 . . . . 0.0 111.55 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.91 121.57 17.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.954 ' HB2' HD12 ' A' ' 84' ' ' ILE . 8.0 p90 -127.0 153.09 46.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -163.22 168.82 20.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.595 HD11 ' HB3' ' A' ' 46' ' ' MET . 21.3 mt -122.52 143.98 33.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.416 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 m -165.38 -171.52 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.2 m 68.0 119.41 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 36.8 Cg_exo -60.6 -15.6 37.78 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.469 2.113 . . . . 0.0 112.513 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 79' ' ' ILE . 14.7 mt -93.73 31.63 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.473 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 52.43 69.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.222 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -119.62 123.75 44.65 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 75' ' ' ILE . 1.9 tp -92.53 122.76 35.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.973 0.416 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.4 ' C ' HD13 ' A' ' 84' ' ' ILE . 13.5 p -108.32 101.4 10.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.541 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.954 HD12 ' HB2' ' A' ' 73' ' ' TYR . 4.5 mm -103.72 123.14 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.488 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -119.71 85.8 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CD1' HG12 ' A' ' 71' ' ' ILE . 7.4 tt -83.33 105.87 6.2 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.237 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -83.59 118.09 2.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.118 2.545 . . . . 0.0 112.195 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.577 ' C ' HD12 ' A' ' 89' ' ' LEU . 8.9 t -149.82 171.85 16.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.095 0.474 . . . . 0.0 111.774 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.622 ' N ' HD12 ' A' ' 89' ' ' LEU . 4.6 mp -118.2 77.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 17.5 p90 -60.91 86.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 0.0 110.938 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -178.88 -44.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.788 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -50.6 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.68 -28.47 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.28 22.29 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.34 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 mmt -156.86 26.99 0.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.55 96.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 110.676 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.91 85.17 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 98' ' ' LEU . 4.5 pp -75.54 -17.8 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.484 ' N ' HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -56.79 -20.77 24.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.394 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -70.62 -50.02 41.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.023 0.44 . . . . 0.0 110.149 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.882 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -58.1 -45.74 86.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.441 ' HA ' HD21 ' A' ' 105' ' ' LEU . 1.6 tt -64.03 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.81 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -40.84 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.882 HD12 ' HA ' ' A' ' 101' ' ' ALA . 6.7 mt -60.42 -49.29 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 106' ' ' HIS . 3.9 pp -71.12 -48.29 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.76 ' N ' HD12 ' A' ' 105' ' ' LEU . 56.5 t-80 -61.34 -52.01 66.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -58.35 -38.38 77.09 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -39.28 84.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.606 0.241 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.806 ' O ' HD23 ' A' ' 109' ' ' LEU . 5.6 tt -81.37 -34.29 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -16.86 49.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.611 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 112' ' ' TYR . 2.8 mm-40 -80.44 -64.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.554 0.216 . . . . 0.0 111.161 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.426 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -164.57 -67.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 113' ' ' VAL . 12.2 p 43.87 44.77 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.216 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.805 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 27' ' ' SER . 29.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.682 0.277 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 26' ' ' THR . 1.4 m 86.62 -27.47 0.08 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.512 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -131.51 115.67 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.784 ' HB3' HG23 ' A' ' 86' ' ' ILE . 1.8 tp-100 -124.43 137.42 54.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -136.22 126.61 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' HB ' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -95.32 133.81 38.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 pt -87.67 96.23 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.57 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.845 HD22 ' HG ' ' A' ' 82' ' ' LEU . 2.8 tt -112.34 159.91 18.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.695 ' N ' HD23 ' A' ' 33' ' ' LEU . 45.1 t -144.26 119.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.623 . . . . 0.0 111.413 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.92 HD12 HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -73.68 165.59 24.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.69 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.699 ' CB ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -92.34 169.59 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.92 -75.9 1.07 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.391 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -78.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.591 0.234 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD13 ' CB ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER 57.76 -168.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.26 176.04 9.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 110.87 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 143.19 58.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 63.99 129.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.733 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.4 m -63.89 104.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -24.51 60.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.079 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.55 ' ND2' HD21 ' A' ' 33' ' ' LEU . 1.4 m120 -55.89 -53.9 51.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -54.45 -35.52 63.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.071 0.463 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' HA ' HG22 ' A' ' 50' ' ' ILE . 3.6 ttpp -72.37 -24.83 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.65 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -72.78 -36.84 67.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG21 HD11 ' A' ' 84' ' ' ILE . 16.4 t -73.0 -49.59 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -58.13 -27.44 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -45.1 34.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -76.08 -48.25 21.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -58.58 -28.54 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.998 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -44.45 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -38.75 85.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.579 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 86.9 m-20 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.567 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 53' ' ' ALA . 10.4 mt -49.55 -59.4 3.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.72 -29.62 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -36.85 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.3 m-85 -81.16 -33.09 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.492 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.526 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.8 t80 -68.54 -29.32 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.02 -27.12 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.3 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.33 -49.38 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.675 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.69 9.74 11.5 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 51.07 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.883 0.373 . . . . 0.0 111.204 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 123.37 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.76 -54.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -159.14 -177.33 6.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.009 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 70.08 119.53 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HD2' HD21 ' A' ' 57' ' ' LEU . 1.7 mmmt -147.53 164.91 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.451 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.543 HD12 ' HG ' ' A' ' 57' ' ' LEU . 2.9 mp -136.32 136.25 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.314 0.578 . . . . 0.0 111.901 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -138.51 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.39 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.818 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.3 p90 -159.99 148.49 17.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 111.178 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -149.93 169.08 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.818 ' CG2' HD22 ' A' ' 82' ' ' LEU . 2.7 pp -135.35 151.29 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.805 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.459 ' C ' HG23 ' A' ' 77' ' ' THR . 44.4 m -164.78 -172.12 2.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 76' ' ' SER . 1.4 p 69.23 140.93 0.07 OUTLIER Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.79 -36.66 83.15 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.479 2.119 . . . . 0.0 112.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -8.48 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.65 83.96 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.205 0.526 . . . . 0.0 111.196 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -108.48 140.44 41.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.515 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -101.43 93.74 5.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.382 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.66 110.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.818 HD13 ' HB2' ' A' ' 73' ' ' TYR . 5.5 mm -98.66 116.5 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.42 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -112.18 95.59 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.784 HG23 ' HB3' ' A' ' 29' ' ' GLN . 13.4 tt -103.31 102.5 29.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.076 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 15.0 Cg_exo -68.79 133.25 26.87 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.579 2.186 . . . . 0.0 112.181 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.7 t -171.81 134.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.956 0.408 . . . . 0.0 111.37 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.0 mp -94.67 -20.26 19.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.977 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 t80 59.38 109.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.05 0.452 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 90' ' ' PHE . 27.1 t0 166.76 -43.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.247 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -16.08 15.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.279 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' OD1' ' CE1' ' A' ' 60' ' ' TYR . 3.0 m-20 -50.8 -42.19 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.92 19.65 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.94 81.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.794 0.33 . . . . 0.0 110.768 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.66 105.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -98.57 32.17 2.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.017 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.525 HD11 HG21 ' A' ' 86' ' ' ILE . 3.7 mm? -83.36 -30.6 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -62.65 -23.04 66.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.23 -32.23 55.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.412 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.81 -30.36 51.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -77.58 -35.87 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.371 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 103' ' ' LEU . 3.6 pp -76.51 -30.53 57.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -75.02 -39.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.213 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.875 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -70.77 -33.89 71.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.875 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.31 -43.71 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.656 0.597 . . . . 0.0 110.815 179.797 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.0 -46.96 85.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -34.71 74.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.655 HD21 ' HB ' ' A' ' 34' ' ' VAL . 6.4 mt -68.87 -58.58 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -62.82 -30.24 71.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -22.24 52.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' O ' ' CG1' ' A' ' 113' ' ' VAL . 98.6 m-85 -137.06 -73.12 0.43 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 113' ' ' VAL . 7.5 p 42.25 57.65 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 111.411 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.758 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.897 0.38 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.63 114.42 19.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 139.37 34.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.571 ' HB2' HG23 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.86 138.97 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -135.61 137.21 41.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.34 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.16 148.89 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.5 128.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.948 HD23 HD22 ' A' ' 105' ' ' LEU . 2.6 mt -129.24 152.47 48.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.644 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.3 t -148.5 118.0 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.213 0.53 . . . . 0.0 111.552 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 170.22 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.783 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.97 111.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.64 -173.52 27.15 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.434 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -150.4 71.61 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.694 0.283 . . . . 0.0 110.882 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -117.25 -169.23 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.878 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' H ' HD23 ' A' ' 39' ' ' LEU . 1.4 p30 -120.49 -42.53 2.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.311 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.45 -173.77 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 62.71 94.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.058 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 p -94.3 96.75 9.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.89 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -26.57 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.023 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -58.15 -63.17 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.049 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -31.7 72.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.668 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 50' ' ' ILE . 2.7 tptp -73.08 -26.73 61.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -73.07 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.942 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.5 t -75.59 -44.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 47' ' ' LYS . 1.1 tt -59.71 -33.65 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -73.68 -48.77 29.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.636 ' OD1' HG21 ' A' ' 104' ' ' ILE . 34.1 m120 -71.66 -49.61 38.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.53 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -81.37 -44.02 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -39.46 83.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 50.7 m-20 -70.09 -54.75 11.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -48.42 -54.66 13.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -61.09 -29.17 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -58.15 -36.47 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.638 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 49.2 m-85 -78.73 -43.52 25.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.696 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 65' ' ' PHE . 7.7 t80 -70.34 -21.8 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -87.74 -23.06 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.73 -46.01 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.931 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 7.35 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 61' ' ' PHE . 1.1 t80 34.84 83.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.3 OUTLIER 175.17 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.626 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER 37.84 91.99 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.077 0.465 . . . . 0.0 111.732 -179.629 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 93' ' ' ASN . 0.4 OUTLIER -95.66 41.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.173 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 179.84 138.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -113.19 157.84 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.535 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.8 mt -123.76 141.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.292 0.568 . . . . 0.0 111.828 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.32 165.43 26.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.31 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.942 ' HB3' HG11 ' A' ' 49' ' ' VAL . 38.7 p90 -146.18 160.64 41.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 0.0 111.486 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.12 126.33 12.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.742 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' CD1' ' A' ' 82' ' ' LEU . 1.1 tt -102.68 118.43 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.82 41.37 3.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.523 ' HB ' ' HD3' ' A' ' 78' ' ' PRO . 51.7 m -65.54 -55.91 21.67 Favored Pre-proline 0 N--CA 1.453 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 77' ' ' THR . 37.3 Cg_endo -66.05 -25.49 51.4 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.292 1.995 . . . . 0.0 112.175 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mm -86.94 -34.43 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.007 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -176.46 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -137.03 170.46 16.06 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.264 0.554 . . . . 0.0 112.175 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.638 ' CD1' HD12 ' A' ' 75' ' ' ILE . 6.7 tp -97.58 114.02 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.249 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.1 p -125.63 133.68 52.14 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.462 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.897 HD11 HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -100.7 145.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -129.14 104.57 7.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.406 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 29' ' ' GLN . 5.5 tt -102.34 103.87 33.78 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -81.27 110.41 2.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.999 2.466 . . . . 0.0 112.69 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 88' ' ' THR . 10.0 t -122.7 106.83 11.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.566 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tp -50.98 -31.39 17.8 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 t80 63.56 134.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.141 0.496 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.89 -61.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.47 31.12 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 13.0 p-10 -98.51 -34.65 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.062 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 60.83 66.35 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.8 ttt 65.46 96.55 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.745 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -179.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.39 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.01 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.75 -10.46 59.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.591 ' HA ' HD21 ' A' ' 102' ' ' LEU . 1.3 mtpt -55.69 -23.04 26.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.379 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.768 ' OE1' HD11 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.35 -51.87 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.851 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.55 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 103' ' ' LEU . 4.4 pp -76.18 -39.33 55.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.776 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.686 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.56 -21.99 62.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.006 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.768 HD11 ' OE1' ' A' ' 100' ' ' GLN . 16.1 mt -82.19 -43.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.948 HD22 HD23 ' A' ' 33' ' ' LEU . 3.7 pp -70.57 -29.34 65.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.425 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -75.8 -52.13 11.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -58.08 -37.14 73.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.77 -32.99 71.79 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -33.77 46.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.43 -64.24 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.415 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -178.62 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.532 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.608 ' O ' HG22 ' A' ' 113' ' ' VAL . 8.4 p 43.61 51.18 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.691 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.718 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.828 0.347 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -135.75 81.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.768 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -84.46 117.7 23.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.6 tp60 -118.99 143.29 47.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.692 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -132.61 131.03 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -102.41 141.28 35.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.679 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.5 124.42 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.307 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.746 HD12 HG13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -118.16 160.97 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.552 ' HB ' HD11 ' A' ' 109' ' ' LEU . 21.7 t -153.31 119.42 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.033 0.444 . . . . 0.0 111.092 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -115.62 88.11 2.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.706 -179.374 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -138.15 163.2 32.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.268 0.556 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.59 -43.43 1.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.828 -0.186 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.27 109.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 111.102 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.51 175.39 14.09 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -131.16 -61.11 0.94 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.764 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -60.03 -42.52 94.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.63 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.46 116.41 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 111.161 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -78.8 -3.11 42.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.588 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.422 ' CG ' HD23 ' A' ' 35' ' ' LEU . 44.1 t30 -54.54 -45.82 73.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -45.94 84.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' ' 50' ' ' ILE . 19.6 tttt -68.37 -23.67 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -71.4 -42.17 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.764 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 84' ' ' ILE . 22.0 t -68.14 -50.0 62.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.4 tt -59.06 -29.92 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.741 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -75.7 -47.14 27.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -45.76 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.81 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -59.27 -30.25 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.769 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -78.5 -47.62 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.587 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.42 76.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.445 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 66.3 m-20 -66.71 -57.9 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.557 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.7 mt -43.33 -55.59 3.99 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.174 0.511 . . . . 0.0 110.998 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.483 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 6.3 mt-10 -55.43 -36.91 67.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -26.18 66.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 93.0 m-85 -82.28 -51.58 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 58' ' ' GLU . 6.9 p90 -87.18 -30.1 21.27 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.936 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 17.9 tttt -87.55 -36.38 17.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -97.23 -28.44 14.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.652 0.263 . . . . 0.0 111.586 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.66 9.65 19.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 45.68 98.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.602 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 137.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.01 171.78 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -117.52 92.14 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -178.94 148.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.178 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -143.0 159.48 42.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 86' ' ' ILE . 32.1 mt -135.33 136.21 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.318 0.58 . . . . 0.0 111.88 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 168.12 20.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.151 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.935 ' HB2' HD13 ' A' ' 84' ' ' ILE . 1.6 p90 -160.08 159.48 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.968 0.413 . . . . 0.0 111.647 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -151.57 154.32 36.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 82' ' ' LEU . 5.9 mt -103.41 130.21 54.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.14 106.94 18.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.621 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 64.96 141.66 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.354 0 CA-C-O 121.111 0.482 . . . . 0.0 110.481 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 77' ' ' THR . 50.1 Cg_exo -53.17 -25.01 28.04 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.354 2.036 . . . . 0.0 112.354 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -158.16 82.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.952 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -157.21 -83.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' C ' HD22 ' A' ' 82' ' ' LEU . 38.4 m-85 -136.7 169.81 17.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.422 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 81' ' ' PHE . 2.8 mm? -120.32 133.07 55.52 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.48 0.487 . . . . 0.0 110.577 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.46 112.62 18.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 0.0 111.448 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.935 HD13 ' HB2' ' A' ' 73' ' ' TYR . 4.4 mm -98.24 134.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.448 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.431 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.2 m-85 -127.19 90.12 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 29' ' ' GLN . 5.5 tt -91.7 106.5 17.21 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 2.0 Cg_endo -82.42 111.36 2.07 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.913 2.409 . . . . 0.0 112.462 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -129.76 146.86 51.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.926 0.393 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.676 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -112.08 85.85 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -59.03 85.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.516 0.674 . . . . 0.0 111.276 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -145.96 24.3 1.33 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.019 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.55 -68.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -14.52 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.933 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 18.61 5.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 166.33 89.42 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.742 ' HB3' HD12 ' A' ' 98' ' ' LEU . 13.8 t0 -54.35 145.45 17.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.97 67.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -81.71 -12.4 58.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.277 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' O ' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -55.95 -22.4 26.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.264 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.85 -58.91 3.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.962 0.411 . . . . 0.0 110.226 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.8 66.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HA ' HD21 ' A' ' 105' ' ' LEU . 10.0 mt -62.77 -31.58 72.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.754 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -74.84 -40.57 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.7 mm -58.11 -52.48 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.185 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.552 ' HA ' HD21 ' A' ' 33' ' ' LEU . 3.6 pp -63.12 -42.5 99.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.985 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.477 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -63.44 -45.66 89.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.787 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -58.54 -29.48 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.714 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.89 -35.34 67.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.552 HD11 ' HB ' ' A' ' 34' ' ' VAL . 3.0 mt -90.41 -27.1 19.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.53 -7.21 54.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.308 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -50.5 -64.42 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.446 . . . . 0.0 111.025 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.3 OUTLIER 179.54 -68.29 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.085 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.595 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.5 p 44.15 39.22 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.372 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 110.724 -179.727 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.511 ' CB ' HD11 ' A' ' 89' ' ' LEU . 2.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -121.6 -174.28 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.73 166.95 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.676 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.38 143.77 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.374 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -127.71 125.13 39.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.033 0.444 . . . . 0.0 111.488 -179.285 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 98' ' ' LEU . 5.4 mp -113.7 148.23 36.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -113.22 142.13 26.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.872 HD11 HG13 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -133.37 158.79 42.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 t -153.9 120.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.314 0.578 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.1 135.64 47.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.038 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.77 124.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 110.939 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 -56.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.44 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.3 -61.71 1.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.817 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -156.86 164.36 38.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -78.83 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.734 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.96 -174.02 0.05 OUTLIER 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -62.27 81.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.038 0.447 . . . . 0.0 110.903 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.52 132.97 52.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.982 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.94 -3.44 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.432 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.445 ' OD1' HD22 ' A' ' 33' ' ' LEU . 1.6 t-20 -54.84 -52.96 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.474 ' HB3' HG21 ' A' ' 75' ' ' ILE . 26.0 ptm -58.62 -45.41 89.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.721 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.521 ' HA ' HG22 ' A' ' 50' ' ' ILE . 11.4 mttp -70.87 -20.9 62.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.547 ' HB3' HG23 ' A' ' 104' ' ' ILE . 1.2 m120 -74.66 -35.39 62.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 84' ' ' ILE . 21.8 t -76.63 -43.35 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.3 tt -61.73 -35.73 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.726 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.21 -44.54 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.563 ' CB ' HD11 ' A' ' 104' ' ' ILE . 4.9 m-80 -71.99 -46.92 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.669 ' HB1' HG21 ' A' ' 71' ' ' ILE . . . -57.36 -31.03 65.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -45.68 15.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -60.88 -34.37 74.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 72.7 m-20 -72.29 -49.61 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.451 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 53' ' ' ALA . 7.1 mt -49.31 -59.19 3.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.39 -25.6 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.678 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -32.09 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.638 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.2 m-85 -86.31 -35.59 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.686 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.5 t80 -75.98 -32.7 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -88.15 -39.24 14.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.571 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.81 -52.31 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.947 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -100.23 9.5 42.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 8.2 t80 58.0 133.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.022 0.439 . . . . 0.0 111.382 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER 63.61 139.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.12 150.31 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -142.17 -46.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' OD2' HG21 ' A' ' 88' ' ' THR . 6.8 t70 -60.03 116.02 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -107.35 157.01 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.256 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.707 HD12 HD12 ' A' ' 86' ' ' ILE . 9.6 tt -139.9 144.35 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 0.0 111.86 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -129.39 117.05 19.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.442 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.644 ' CB ' HG11 ' A' ' 49' ' ' VAL . 27.1 p90 -121.05 153.83 36.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.588 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -151.32 153.07 34.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -124.3 141.53 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.935 0.397 . . . . 0.0 111.532 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.77 104.86 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -75.6 -50.33 3.45 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.895 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.3 Cg_exo -48.07 -32.88 19.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.273 1.982 . . . . 0.0 112.471 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.91 -14.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.99 30.35 11.86 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 111.101 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.51 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -121.6 146.98 46.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.714 ' HB3' HD13 ' A' ' 33' ' ' LEU . 3.3 mm? -110.24 118.39 36.21 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.2 m -108.71 133.33 52.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.872 HG13 HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -133.82 126.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.067 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.482 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -129.41 92.74 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.151 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.707 HD12 HD12 ' A' ' 71' ' ' ILE . 11.5 tt -86.16 105.49 7.6 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.888 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 4.1 Cg_endo -86.73 115.47 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.924 2.416 . . . . 0.0 111.85 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.406 HG21 ' OD2' ' A' ' 69' ' ' ASP . 4.9 t -152.67 178.8 9.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.033 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.511 HD11 ' CB ' ' A' ' 26' ' ' THR . 3.0 mp -123.34 100.06 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 29.8 p90 -69.05 87.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.278 0.561 . . . . 0.0 110.802 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.16 -68.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 mtp -62.17 -28.96 70.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.78 -36.58 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 54.95 23.63 5.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtp 175.84 78.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -77.31 143.81 38.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 tp -145.03 72.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -73.26 -10.46 59.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -20.36 44.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.411 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -72.48 -48.41 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.992 0.425 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -62.63 -46.75 86.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.618 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.423 ' HG ' HD21 ' A' ' 31' ' ' LEU . 4.3 mt -59.5 -29.97 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.01 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.384 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 101' ' ' ALA . 26.4 mt -70.12 -49.38 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.98 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.68 ' HA ' HD23 ' A' ' 33' ' ' LEU . 3.2 pp -70.52 -32.63 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -69.49 -46.67 66.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -69.67 -31.06 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.01 -32.21 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 105' ' ' LEU . 4.1 pp -99.98 -23.48 14.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -69.47 -6.64 31.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.778 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.69 1.45 14.58 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 111.944 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -167.08 -68.93 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.745 HG22 ' H ' ' A' ' 114' ' ' GLU . 9.5 p 35.53 -133.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.941 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.745 ' H ' HG22 ' A' ' 113' ' ' VAL . 25.3 tt0 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.793 0.33 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p 77.27 -59.15 0.48 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 126.41 54.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.653 ' HB2' HG23 ' A' ' 86' ' ' ILE . 5.9 mt-30 -134.1 143.39 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.44 137.07 41.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 84' ' ' ILE . 3.8 mt -105.04 133.74 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.61 107.82 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.194 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.804 HD13 HG13 ' A' ' 84' ' ' ILE . 5.4 mp -120.53 138.78 53.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.507 HG12 ' H ' ' A' ' 35' ' ' LEU . 2.3 t -102.98 -137.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.507 ' H ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -140.16 131.54 26.8 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.613 0.244 . . . . 0.0 110.794 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.22 -66.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.659 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.54 -135.72 4.39 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 63.29 130.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.03 39.25 1.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.56 148.89 37.34 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.61 157.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -68.06 -53.04 28.53 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -145.06 107.67 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.605 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.39 -27.39 22.8 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.778 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.745 ' HB3' HD13 ' A' ' 82' ' ' LEU . 7.3 m120 -56.99 -49.83 74.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -46.54 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.013 0.435 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.832 ' HA ' HD12 ' A' ' 50' ' ' ILE . 8.2 tttp -61.82 -27.94 69.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.201 0.524 . . . . 0.0 110.391 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.63 -40.76 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.687 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.905 HG11 ' HB3' ' A' ' 73' ' ' TYR . 24.5 t -71.28 -34.62 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 47' ' ' LYS . 45.9 mt -61.16 -40.35 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -73.53 -45.2 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' CG ' HD13 ' A' ' 104' ' ' ILE . 27.1 m120 -71.67 -56.52 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.68 -28.91 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -79.28 -40.34 30.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -60.54 -41.87 95.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.481 ' OD1' HD11 ' A' ' 97' ' ' LEU . 29.4 m-20 -69.58 -48.56 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.82 HD12 ' OE2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -52.24 -57.55 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -28.36 69.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.58 72.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 24.3 m-85 -76.73 -42.76 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.329 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 7.1 t80 -64.68 -28.13 69.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.61 -23.83 24.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.725 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -41.28 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -108.92 9.6 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 39.8 32.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 111.605 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -141.89 -44.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.03 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.82 ' OE2' HD12 ' A' ' 57' ' ' LEU . 8.4 tt0 71.47 105.66 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.59 174.98 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.789 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 60.2 170.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -145.1 158.58 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.054 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.517 HG23 ' HB ' ' A' ' 86' ' ' ILE . 17.1 mt -131.97 146.39 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.359 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.32 168.19 20.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.905 ' HB3' HG11 ' A' ' 49' ' ' VAL . 5.9 p90 -158.72 152.81 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.48 168.99 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.164 0.507 . . . . 0.0 111.034 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 76' ' ' SER . 4.3 mt -128.53 158.41 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 75' ' ' ILE . 83.8 p -165.7 -172.22 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 111.064 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 p 62.04 150.76 0.1 Allowed Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.36 -19.28 22.35 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.064 2.509 . . . . 0.0 112.955 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 79' ' ' ILE . 21.1 mm -89.92 13.25 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.961 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.7 85.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.52 127.99 55.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.408 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' A' ' 45' ' ' ASN . 16.9 tp -92.47 95.31 9.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.3 m -97.75 102.08 13.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.399 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -86.81 138.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.799 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 77.3 m-85 -129.25 94.26 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.839 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' A' ' 29' ' ' GLN . 9.5 tt -95.36 105.7 21.69 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.555 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 3.7 Cg_exo -76.28 111.28 3.23 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.588 2.192 . . . . 0.0 111.779 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -153.42 140.32 19.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.153 0.501 . . . . 0.0 111.149 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mp -96.99 -13.36 22.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.328 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.469 ' HZ ' HD21 ' A' ' 94' ' ' ASN . 11.5 t80 63.72 128.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.071 0.462 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.59 -54.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.404 ' O ' ' CB ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -74.14 118.52 17.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.953 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 92' ' ' MET . 0.1 OUTLIER 79.58 -13.65 0.94 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.899 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.469 HD21 ' HZ ' ' A' ' 90' ' ' PHE . 9.7 m120 52.11 52.74 13.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.868 0.366 . . . . 0.0 111.202 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -174.89 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 57.44 23.59 9.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.554 HD21 ' CZ ' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 41.68 46.49 3.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.686 179.772 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -23.21 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.58 ' HA ' HD21 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -58.31 -20.5 43.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -78.42 -50.6 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -54.61 -47.83 72.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.986 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 99' ' ' LYS . 4.0 pp -70.83 -23.95 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.73 -40.38 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.201 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.438 HD13 ' CG ' ' A' ' 52' ' ' ASN . 7.4 pt -67.28 -32.53 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.609 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.7 pp -80.69 -39.74 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.8 ' N ' HD12 ' A' ' 105' ' ' LEU . 6.3 t60 -73.68 -50.81 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.27 -51.69 67.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -57.23 -31.57 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.424 HD22 HG23 ' A' ' 34' ' ' VAL . 8.4 tp -100.31 -0.4 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.709 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -73.09 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 122.229 -0.294 . . . . 0.0 111.332 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.66 -65.79 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.993 0.425 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 164.73 -38.34 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.067 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 113' ' ' VAL . 14.4 p -75.93 124.32 33.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.199 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.4 . . . . 0.0 110.746 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -131.38 133.87 45.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.643 ' HB2' HG23 ' A' ' 86' ' ' ILE . 49.2 mm-40 -137.69 143.58 41.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.38 137.24 42.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.296 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 105' ' ' LEU . 2.1 mp -109.85 111.99 23.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -74.26 92.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.663 HD23 HD21 ' A' ' 45' ' ' ASN . 6.5 mp -78.8 166.1 22.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.708 ' O ' HD13 ' A' ' 109' ' ' LEU . 27.2 t -154.72 122.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.737 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.814 HD13 ' OD1' ' A' ' 45' ' ' ASN . 1.8 tp -120.85 -166.01 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.77 161.0 19.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.67 33.49 6.52 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.9 31.96 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.003 0.43 . . . . 0.0 110.523 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -20.14 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.814 ' OD1' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -54.21 -59.29 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.151 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -57.03 -40.11 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -66.8 -25.77 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.35 -37.69 68.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.782 HG11 ' HB3' ' A' ' 73' ' ' TYR . 26.6 t -71.13 -43.87 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.238 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 73' ' ' TYR . 34.7 mm -63.69 -37.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -71.3 -33.01 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.831 ' ND2' HD13 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -88.69 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.045 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.24 -32.73 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -83.76 -51.8 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.35 -39.01 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 60.7 m-20 -67.23 -47.79 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.424 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.02 -64.22 0.88 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.231 0.538 . . . . 0.0 110.592 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.82 -29.28 59.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.916 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -36.8 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 0.0 110.522 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.732 ' CE1' HD22 ' A' ' 97' ' ' LEU . 6.7 m-85 -79.06 -32.96 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.3 t80 -77.72 -29.55 51.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.268 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -40.98 13.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.05 -52.67 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.58 9.94 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.485 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.4 t80 68.11 -64.7 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.193 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -144.21 119.8 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.07 -166.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -139.86 93.85 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD2' HD12 ' A' ' 97' ' ' LEU . 8.1 t70 -177.8 125.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -113.16 154.13 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.401 HG12 ' CG1' ' A' ' 86' ' ' ILE . 12.2 mt -132.75 139.32 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.353 0.597 . . . . 0.0 112.155 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.49 172.8 12.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.238 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.866 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.3 p90 -159.99 165.49 31.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.046 0.45 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -159.45 159.01 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.483 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.8 mp -104.02 126.2 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.914 0.388 . . . . 0.0 111.341 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.36 84.67 2.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.547 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.05 130.28 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.595 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.94 -17.69 46.48 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.606 2.204 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 79' ' ' ILE . 1.6 mp -114.83 32.75 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.814 0.34 . . . . 0.0 111.399 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -139.3 -108.96 0.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.682 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -137.06 168.21 20.03 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.969 0.414 . . . . 0.0 111.227 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 33' ' ' LEU . 4.6 mm? -95.5 142.28 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.366 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.32 104.2 11.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 73' ' ' TYR . 3.5 mm -97.41 132.28 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.198 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.473 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 26.7 m-85 -128.73 92.9 3.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.258 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -91.52 104.88 11.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -85.09 116.0 1.75 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.969 2.446 . . . . 0.0 112.023 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.4 t -133.3 142.99 48.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.89 0.376 . . . . 0.0 111.255 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 tp -75.96 -30.44 58.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 63.11 131.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.34 -41.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 ttt -131.97 34.83 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.786 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.544 ' ND2' HD11 ' A' ' 97' ' ' LEU . 20.1 m120 -105.17 -36.23 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 57.51 26.82 13.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 57.72 54.66 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -128.63 24.23 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 ' CE1' ' A' ' 60' ' ' TYR . 9.6 mt -117.41 -25.4 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -12.48 60.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.381 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.549 ' O ' HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -55.55 -40.0 71.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -38.5 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.38 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 110.61 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.961 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 99' ' ' LYS . 3.5 mt -83.16 -45.35 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.831 HD13 ' ND2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -59.57 -45.34 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.329 -179.649 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -72.36 -44.18 62.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.755 ' N ' HD12 ' A' ' 105' ' ' LEU . 45.4 t-80 -59.48 -57.44 12.97 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.752 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.24 -32.27 62.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.779 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.66 -44.51 93.55 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.749 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 34' ' ' VAL . 3.0 tp -99.8 -0.97 38.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -78.37 -72.16 0.39 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -179.79 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -102.26 139.45 37.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.154 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.44 ' NE2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -134.72 139.27 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 110.917 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.41 135.7 40.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.068 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.547 HD13 ' HB1' ' A' ' 101' ' ' ALA . 1.2 mp -111.96 144.13 41.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.64 102.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.519 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.857 HD23 ' HG ' ' A' ' 82' ' ' LEU . 5.1 tp -88.24 144.91 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.81 ' HA ' HD22 ' A' ' 109' ' ' LEU . 18.0 t 69.16 129.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.054 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -39.48 2.98 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -62.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.22 -51.8 0.62 Allowed Glycine 0 C--N 1.322 -0.227 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.219 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 46.01 -169.4 0.01 OUTLIER 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.012 0.434 . . . . 0.0 111.207 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.223 -0.302 0 CA-C-O 121.068 0.461 . . . . 0.0 110.464 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -57.48 -23.96 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 111.261 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.453 ' ND2' HD21 ' A' ' 33' ' ' LEU . 2.0 m120 -55.93 -51.6 67.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -30.8 68.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.851 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.501 ' HA ' HG22 ' A' ' 50' ' ' ILE . 3.3 mmmp? -76.26 -24.68 54.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.06 -36.65 66.91 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 84' ' ' ILE . 21.3 t -75.25 -50.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.0 tt -56.58 -28.75 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -75.38 -46.14 34.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.075 0.464 . . . . 0.0 110.678 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' ND2' HD13 ' A' ' 104' ' ' ILE . 1.7 m-20 -73.03 -47.54 44.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.26 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.33 -45.14 49.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.758 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -57.77 -49.73 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 76.3 m-20 -57.22 -56.81 16.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.641 HD21 ' HA ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -49.4 -55.29 13.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.797 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -62.84 -29.53 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.731 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.55 -37.8 68.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 19.5 m-85 -79.24 -41.91 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.523 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.2 t80 -65.84 -25.8 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -23.37 24.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.325 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -43.21 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -109.09 9.6 26.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 42.64 31.08 0.27 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.782 0.325 . . . . 0.0 111.489 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -39.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.604 ' CG ' HD12 ' A' ' 57' ' ' LEU . 12.8 tt0 75.76 81.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -93.14 164.85 13.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.46 154.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.641 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -133.83 156.86 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.692 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.576 HD11 HD11 ' A' ' 97' ' ' LEU . 33.8 mt -134.26 137.07 52.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.271 0.558 . . . . 0.0 111.76 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.24 164.09 30.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.19 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.866 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.6 p90 -160.06 158.54 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.549 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -150.57 168.66 23.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.327 0.584 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -127.8 159.17 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.365 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.5 m -134.88 118.21 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.148 0.499 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.416 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -87.94 -52.92 0.38 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.612 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 77' ' ' THR . 59.3 Cg_exo -50.8 -28.17 22.45 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.662 2.241 . . . . 0.0 112.572 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.9 mt -106.09 -24.0 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.364 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 68.47 42.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -132.82 148.3 52.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.857 ' HG ' HD23 ' A' ' 33' ' ' LEU . 4.3 mm? -92.26 115.18 27.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.12 114.51 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.153 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 73' ' ' TYR . 3.3 mm -108.84 131.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.688 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -129.14 92.94 3.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -98.19 107.11 39.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.471 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 91.9 Cg_endo -85.14 124.27 2.84 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.525 2.15 . . . . 0.0 112.551 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.451 HG21 ' CE1' ' A' ' 90' ' ' PHE . 15.2 t -146.78 -162.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -30.99 5.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CE1' HG21 ' A' ' 88' ' ' THR . 22.8 m-85 58.92 26.48 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -149.68 20.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -54.56 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.361 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -88.54 -3.88 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 65.97 59.27 0.71 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.83 41.34 2.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.567 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -93.39 52.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.576 HD11 HD11 ' A' ' 71' ' ' ILE . 4.0 tt -154.01 -48.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 31' ' ' LEU . 1.3 mm? -59.11 -30.2 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -59.79 -30.85 69.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.76 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.547 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -60.9 -36.85 80.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.954 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.541 ' CD2' HD23 ' A' ' 31' ' ' LEU . 44.5 mt -74.7 -32.4 62.15 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.035 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 mt -77.26 -36.99 53.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.891 0.377 . . . . 0.0 111.521 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.09 -46.34 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.524 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -66.65 -42.81 86.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 111.044 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.834 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -62.94 -53.2 57.76 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 120.882 0.373 . . . . 0.0 110.61 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.24 -15.16 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.221 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.22 -66.46 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.81 HD22 ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -100.34 -48.58 4.53 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.409 ' CD2' ' ND1' ' A' ' 106' ' ' HIS . 77.9 m-70 -59.47 -17.53 32.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.757 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.084 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.747 0.308 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -115.3 124.62 51.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.661 ' HB3' HG23 ' A' ' 86' ' ' ILE . 2.3 tp60 -128.23 141.53 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -135.51 137.27 41.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.076 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -109.02 128.58 55.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.589 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.5 pp -73.14 130.08 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.936 HD22 ' HB2' ' A' ' 105' ' ' LEU . 23.0 mt -137.61 133.15 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 111.057 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 t -155.63 122.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.12 0.486 . . . . 0.0 111.225 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.541 ' HA ' HD13 ' A' ' 109' ' ' LEU . 1.6 tp -104.03 161.6 13.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.606 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -105.97 154.88 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.997 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.65 168.31 14.44 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.47 -54.05 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.46 0.066 0 CA-C-O 120.783 0.325 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -81.84 -16.9 49.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.537 HD21 HD22 ' A' ' 35' ' ' LEU . 1.8 m120 -54.23 -38.99 66.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -38.15 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -73.26 -23.42 60.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.468 ' OD1' HG23 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -74.15 -38.39 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 73' ' ' TYR . 13.0 t -72.73 -47.35 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.841 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.14 -32.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.88 -44.35 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.671 ' CB ' HD11 ' A' ' 104' ' ' ILE . 6.7 m120 -72.88 -52.5 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.1 62.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -82.59 -45.73 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -60.16 -35.54 75.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 82.0 m-20 -73.9 -48.9 27.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -50.19 -55.1 16.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.54 -30.22 71.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -37.41 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.0 m-85 -78.31 -46.23 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.493 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -64.81 -24.12 67.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -87.83 -21.34 25.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.81 -42.8 7.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.152 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.63 9.59 11.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.506 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.2 t80 58.09 15.72 3.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.462 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER 162.2 146.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.517 0.327 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.21 155.93 25.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -98.58 81.74 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -169.84 117.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -121.54 155.7 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 97' ' ' LEU . 3.0 mp -135.48 142.55 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.153 0.502 . . . . 0.0 111.502 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.26 148.32 44.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.803 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.803 ' HB3' HG11 ' A' ' 49' ' ' VAL . 19.5 p90 -138.82 152.02 47.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.028 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.63 160.9 38.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 tt -131.1 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.28 -172.35 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.4 m 65.15 138.92 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' A' ' 77' ' ' THR . 73.3 Cg_endo -75.7 -7.52 18.58 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.465 2.11 . . . . 0.0 112.795 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 79' ' ' ILE . 3.0 mt -96.82 29.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 111.229 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 53.91 67.38 1.02 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.112 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -104.12 120.0 40.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.693 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 19.9 tp -102.04 117.84 35.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 0.0 111.13 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.83 110.37 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.781 HD11 ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -92.64 137.0 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 49.2 m-85 -125.1 96.43 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.776 HD11 HD13 ' A' ' 97' ' ' LEU . 11.7 tt -96.38 105.95 25.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.264 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.2 Cg_exo -74.79 119.75 5.83 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.687 2.258 . . . . 0.0 112.177 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 t -157.25 132.16 8.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.96 0.409 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -92.89 -14.71 27.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 63.83 133.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.172 0.51 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.8 -54.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 ttp -126.75 85.14 2.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -175.92 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 66.06 39.0 4.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.2 mtt 59.18 101.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.88 62.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.776 HD13 HD11 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -156.69 -45.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.003 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 31' ' ' LEU . 3.2 mp -56.18 -33.0 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -58.49 -29.61 66.36 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.009 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -76.16 -59.05 2.93 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.067 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -50.51 -49.84 54.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.842 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.585 ' HG ' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -57.8 -34.57 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.29 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -29.68 66.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.671 HD11 ' CB ' ' A' ' 52' ' ' ASN . 84.8 mt -63.69 -58.3 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.936 ' HB2' HD22 ' A' ' 33' ' ' LEU . 3.3 tm? -66.28 -29.36 69.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -65.94 0.6 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.39 -29.9 66.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.523 ' C ' HD11 ' A' ' 35' ' ' LEU . 13.9 t0 -71.3 -34.73 70.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 35' ' ' LEU . 55.1 tp -83.84 -33.02 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -20.69 58.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.501 -179.825 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.874 0.369 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -175.8 165.59 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 86' ' ' ILE . 3.1 mt-30 -149.77 143.47 25.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.403 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -120.75 137.25 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.658 -179.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mp -106.16 149.09 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.795 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -106.25 122.4 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 HG13 ' A' ' 84' ' ' ILE . 1.5 mp -124.52 149.91 46.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -156.02 121.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.912 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -62.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -148.98 -71.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.802 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.54 -98.75 0.13 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -116.61 144.49 44.33 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.198 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.926 0.393 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -65.37 -28.31 69.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.03 -60.02 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 ptm -57.45 -37.96 73.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.55 . . . . 0.0 110.829 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -27.07 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.689 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.7 HD21 HG21 ' A' ' 104' ' ' ILE . 1.5 t30 -68.75 -43.47 75.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.831 HG11 ' HB3' ' A' ' 73' ' ' TYR . 28.3 t -65.88 -58.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -48.08 -31.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -72.58 -42.03 65.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.29 -55.4 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.01 -31.99 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 57' ' ' LEU . 11.8 ttmt -81.44 -42.42 20.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.81 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.381 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 57.2 m-80 -72.48 -44.57 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.476 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 54' ' ' LYS . 16.0 mt -52.84 -60.09 3.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.141 0.496 . . . . 0.0 110.767 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.76 -31.23 69.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -56.26 -34.48 66.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.04 0.447 . . . . 0.0 110.424 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.588 ' HE1' HD11 ' A' ' 97' ' ' LEU . 13.5 m-85 -77.09 -44.49 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.561 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 8.4 t80 -71.47 -20.68 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -87.62 -22.24 24.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -97.9 -43.31 7.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -119.54 9.54 11.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.5 t80 40.97 38.93 0.74 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 111.759 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -135.7 -47.21 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.953 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 60' ' ' TYR . 2.1 tt0 63.78 98.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.22 44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.72 130.28 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.27 139.91 48.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.446 HG12 HD12 ' A' ' 86' ' ' ILE . 3.1 mt -132.22 136.21 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 111.88 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 t -138.39 170.19 16.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.304 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.831 ' HB3' HG11 ' A' ' 49' ' ' VAL . 6.2 p90 -155.28 152.83 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 111.356 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -166.01 168.85 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.788 HG22 HD13 ' A' ' 82' ' ' LEU . 1.2 pt -114.06 174.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.44 172.18 2.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.592 ' OG1' HG22 ' A' ' 79' ' ' ILE . 3.0 p 62.12 146.27 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.411 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.48 -13.36 27.63 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.439 2.092 . . . . 0.0 112.224 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.592 HG22 ' OG1' ' A' ' 77' ' ' THR . 7.0 tp -76.6 -3.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.727 0.299 . . . . 0.0 111.389 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.6 t30 73.46 50.23 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.03 133.66 33.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.656 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.788 HD13 HG22 ' A' ' 75' ' ' ILE . 3.9 mm? -92.35 98.93 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.55 97.84 9.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.75 HD13 ' CB ' ' A' ' 73' ' ' TYR . 1.5 mm -83.39 132.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.197 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.404 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -123.33 101.79 7.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.944 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.446 HD12 HG12 ' A' ' 71' ' ' ILE . 5.5 tt -104.14 102.02 29.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 6.0 Cg_exo -78.18 115.54 3.75 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.915 2.41 . . . . 0.0 111.966 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -159.92 -172.32 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -122.56 98.4 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 35.3 p90 -60.27 86.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -165.38 -64.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -52.53 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.568 ' HB3' HD13 ' A' ' 97' ' ' LEU . 48.5 m-20 -104.0 42.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.13 34.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.34 -36.3 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.672 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -169.69 98.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 96' ' ' ASP . 1.4 mp -144.08 -66.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -21.65 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.851 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -54.15 -27.91 36.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.188 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.42 -54.15 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.439 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.17 -32.57 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.821 HD23 HD21 ' A' ' 105' ' ' LEU . 5.4 mt -73.79 -33.07 64.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 99' ' ' LYS . 2.5 mm? -70.36 -26.74 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.7 HG21 HD21 ' A' ' 48' ' ' ASN . 31.5 mm -80.5 -52.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.275 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.821 HD21 HD23 ' A' ' 102' ' ' LEU . 4.0 pp -56.87 -43.9 81.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.725 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -67.43 -37.64 83.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.557 179.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.52 -36.33 83.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.615 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.96 -41.46 91.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -30.4 56.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -79.2 -6.9 57.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.603 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.642 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -138.06 119.08 14.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' HB2' HG23 ' A' ' 86' ' ' ILE . 6.7 mm100 -115.93 143.22 45.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -135.36 137.25 42.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.154 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.744 HD23 ' HG ' ' A' ' 102' ' ' LEU . 2.6 mp -117.03 115.79 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.06 125.02 39.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 82' ' ' LEU . 1.7 pp -137.14 179.51 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.0 t -155.12 120.65 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -113.97 98.12 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.924 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.8 -32.63 6.42 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.641 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -66.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.787 0.327 . . . . 0.0 110.755 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.775 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.772 0.32 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.05 -23.51 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.574 ' N ' HD22 ' A' ' 35' ' ' LEU . 48.8 t30 -53.49 -34.96 59.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 ttt -50.71 -65.43 0.56 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.812 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -56.6 -24.29 46.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -47.6 71.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 73' ' ' TYR . 19.7 t -64.5 -35.81 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.2 mt -62.0 -42.93 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -74.13 -41.47 61.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -73.17 -57.85 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -51.5 -30.84 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -40.2 53.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -32.95 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 60.1 m-80 -71.73 -53.87 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -48.02 -57.58 5.59 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.84 -27.77 63.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.615 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.635 ' OH ' HD12 ' A' ' 97' ' ' LEU . 37.5 m-85 -81.34 -29.43 34.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.664 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.6 t80 -80.07 -29.93 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.35 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -27.71 22.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.87 -46.77 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.684 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' LYS . 7.4 m170 -107.49 9.78 29.51 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.1 t80 64.05 -66.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.431 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -65.17 157.14 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.22 -169.19 2.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.541 ' HZ ' HD11 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -144.78 -159.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.498 ' HB2' HG23 ' A' ' 88' ' ' THR . 1.3 t0 -58.32 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.337 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -116.48 167.15 11.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.006 0.431 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.541 HD11 ' HZ ' ' A' ' 68' ' ' PHE . 19.1 mt -128.78 148.58 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.19 165.25 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.23 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.871 ' HB3' HG11 ' A' ' 49' ' ' VAL . 6.7 p90 -158.33 159.45 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.627 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -161.97 157.01 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.492 . . . . 0.0 111.363 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.716 HD13 ' H ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -117.15 140.06 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -115.53 91.5 3.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.734 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 62.68 144.11 0.07 OUTLIER Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.734 ' HD2' HG22 ' A' ' 77' ' ' THR . 74.2 Cg_endo -76.09 -27.22 8.49 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.276 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 79' ' ' ILE . 22.1 mm -110.24 37.79 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.704 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -138.98 -109.89 0.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.564 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 82' ' ' LEU . 46.2 m-85 -137.07 169.81 17.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.983 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 81' ' ' PHE . 6.0 mp -125.78 142.41 51.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.248 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -129.87 141.61 50.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 111.865 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.456 HD13 ' HB3' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -120.16 138.32 51.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.395 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -129.44 106.27 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 98' ' ' LEU . 7.2 tt -106.83 101.06 35.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.448 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 10.3 Cg_exo -70.83 106.47 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.517 2.145 . . . . 0.0 111.763 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.498 HG23 ' HB2' ' A' ' 69' ' ' ASP . 3.1 m -159.93 171.36 19.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.975 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.45 ' H ' HG22 ' A' ' 88' ' ' THR . 3.1 tp -116.39 -5.77 11.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.45 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 97' ' ' LEU . 19.1 p90 44.22 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 111.398 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -155.6 -43.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -71.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -23.75 26.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.1 p30 42.75 33.21 0.45 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.726 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -83.27 135.69 34.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 90' ' ' PHE . 2.8 tp -169.2 -72.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.806 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 86' ' ' ILE . 4.4 mt -88.02 -17.6 30.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.204 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -24.61 16.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -45.28 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.761 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -65.07 -32.37 74.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.744 ' HG ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -79.14 -27.42 42.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.54 -28.95 62.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 105' ' ' LEU . 7.5 tp -84.76 -41.62 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 105' ' ' LEU . 3.8 pp -74.55 -33.75 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' HD12 ' A' ' 105' ' ' LEU . 20.5 t-80 -77.1 -48.35 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -57.93 -38.81 76.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.61 -30.56 64.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 tt -95.15 -0.41 53.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.14 -30.8 34.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.835 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.018 0.437 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -93.23 138.61 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.28 136.05 26.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -135.62 126.68 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.184 -179.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -101.91 149.01 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.731 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.527 HG23 ' CE2' ' A' ' 81' ' ' PHE . 27.7 mm -110.88 91.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.237 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.689 HD22 ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -78.57 141.99 37.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 0.0 110.682 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' H ' HD23 ' A' ' 105' ' ' LEU . 22.1 t 65.13 132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.313 0.578 . . . . 0.0 110.946 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.81 -65.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.231 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -35.95 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.76 -76.32 0.41 Allowed Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.097 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.49 -73.72 0.07 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 111.129 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.104 0.478 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.463 0.215 0 CA-C-O 120.936 0.398 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -78.09 -4.52 47.77 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -56.14 -65.46 0.6 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.75 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.67 -27.92 69.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.67 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -66.17 -41.14 90.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 73' ' ' TYR . 22.0 t -67.95 -43.56 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.96 -36.64 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.063 0.458 . . . . 0.0 110.538 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -76.04 -52.18 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -66.53 -54.17 26.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.77 56.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.812 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -43.63 22.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.634 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -61.35 -31.08 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.314 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 49.4 m-80 -73.32 -49.0 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.588 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.27 -59.38 4.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -26.47 66.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.659 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.44 75.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.5 m-85 -80.92 -34.86 33.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.9 t80 -77.35 -25.24 50.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.21 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -87.39 -33.82 18.99 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.298 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -92.84 -50.88 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.19 9.75 29.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.588 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER 46.97 29.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.218 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.6 -175.59 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.788 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.02 143.18 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -151.64 35.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -166.67 158.74 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -128.97 147.7 50.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 86' ' ' ILE . 16.1 mt -130.16 135.09 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 0.0 111.441 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.34 172.98 12.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.903 ' HB2' HD13 ' A' ' 84' ' ' ILE . 4.7 p90 -159.73 158.34 31.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.158 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.36 163.71 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.288 0.565 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.848 HD13 ' N ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -143.61 141.36 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.68 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.848 ' N ' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -161.39 -164.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 76' ' ' SER . 1.3 p 67.49 141.49 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.6 -12.46 24.64 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.482 2.121 . . . . 0.0 112.834 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.89 19.43 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.271 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.21 87.75 0.05 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.575 0.226 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.527 ' CE2' HG23 ' A' ' 32' ' ' ILE . 4.3 t80 -125.47 122.67 37.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 33' ' ' LEU . 4.0 mm? -92.33 111.01 22.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.8 m -103.58 97.36 7.41 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.903 HD13 ' HB2' ' A' ' 73' ' ' TYR . 8.7 mm -84.05 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.018 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 30' ' ' GLU . 25.8 m-85 -129.34 96.56 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.735 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.576 HD13 HD21 ' A' ' 98' ' ' LEU . 4.7 tt -97.08 104.41 18.98 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.025 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 10.7 Cg_endo -90.23 118.69 0.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.983 2.455 . . . . 0.0 112.562 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 t -139.98 163.81 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 90' ' ' PHE . 4.3 mm? -90.17 -34.92 15.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.739 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 89' ' ' LEU . 31.5 t80 52.78 114.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.454 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.23 -77.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.803 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -20.71 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -49.67 -43.52 47.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 48.47 27.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.27 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtt -171.96 34.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.46 111.23 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.71 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -120.49 86.26 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.576 HD21 HD13 ' A' ' 86' ' ' ILE . 1.1 mt -73.71 -10.18 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 103' ' ' LEU . 12.9 mmtt -56.21 -19.94 15.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.672 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.86 -50.19 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.904 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -61.17 -48.54 81.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.589 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.522 HD12 HD21 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -60.73 -33.92 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.656 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 99' ' ' LYS . 1.7 mt -70.46 -38.72 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 101' ' ' ALA . 11.0 mt -59.15 -50.54 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER -65.04 -50.47 66.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.835 0.35 . . . . 0.0 110.39 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.822 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -57.56 -58.39 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 111.119 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -21.23 53.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -38.26 71.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.662 0.268 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.0 mt -99.92 -41.33 7.26 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.135 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.36 -27.81 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.681 0.276 . . . . 0.0 111.017 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.587 ' HA ' HD13 ' A' ' 89' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 0.0 110.804 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 133.78 55.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -142.68 142.78 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.865 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -135.39 126.67 28.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.206 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mp -111.95 132.07 54.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -89.85 148.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.781 HD11 HG12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -139.88 157.02 46.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.3 t -154.77 121.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -179.98 7.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.192 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.17 -44.78 59.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.006 0.431 . . . . 0.0 110.998 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.25 31.43 2.22 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 114.0 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 110.735 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.75 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.592 0.234 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -62.39 -34.77 77.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -57.76 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 mtp -59.84 -47.96 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HA ' HG22 ' A' ' 50' ' ' ILE . 5.3 tptt -57.85 -29.18 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -70.43 -39.22 74.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.689 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.891 HG11 ' HB3' ' A' ' 73' ' ' TYR . 16.9 t -71.51 -54.7 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 47' ' ' LYS . 5.2 tp -52.52 -30.25 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.88 -40.37 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -80.92 -53.86 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 71' ' ' ILE . . . -55.04 -28.46 52.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -81.74 -40.89 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.779 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.34 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 80.8 m-20 -72.89 -47.25 47.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -49.17 -56.91 7.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.974 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.5 -27.12 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -58.44 -36.53 73.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.4 m-85 -82.02 -34.44 29.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -25.49 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.5 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -44.16 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -102.14 9.6 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 43.15 31.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -151.58 174.94 12.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.018 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 tt0 -139.65 127.03 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -146.62 -46.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.563 ' OD2' HD13 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -70.19 108.23 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 7.7 mttp -103.96 158.48 16.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.579 HD12 HD23 ' A' ' 57' ' ' LEU . 11.1 mt -133.76 146.02 32.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.27 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.05 120.39 15.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.891 ' HB3' HG11 ' A' ' 49' ' ' VAL . 36.1 p90 -120.86 146.68 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.289 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -154.89 152.6 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.039 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.827 HG22 ' CD1' ' A' ' 82' ' ' LEU . 3.0 pt -102.77 153.53 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -133.47 97.68 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.983 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.65 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 11.8 t -74.37 -30.4 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.007 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 77' ' ' THR . 37.4 Cg_exo -56.96 -34.45 97.43 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.038 1.825 . . . . 0.0 112.245 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -112.29 -10.98 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.384 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 t30 66.76 41.34 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -136.52 155.31 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.827 ' CD1' HG22 ' A' ' 75' ' ' ILE . 3.6 mm? -105.2 128.18 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.443 ' C ' HD13 ' A' ' 84' ' ' ILE . 4.6 t -121.43 109.83 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.781 HG12 HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -98.93 93.26 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.476 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.8 t80 -78.83 84.63 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.039 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.599 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.8 106.2 9.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.389 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.8 Cg_exo -78.7 113.88 3.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.831 2.354 . . . . 0.0 112.116 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -150.79 139.16 20.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.985 0.422 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -95.42 -21.75 18.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.742 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.2 t80 61.28 119.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.1 0.476 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.94 -51.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.63 -43.43 80.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -54.23 -33.15 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.9 t30 48.8 29.79 2.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.6 mtt -156.02 -79.8 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.503 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.0 p30 -177.18 -172.61 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 98' ' ' LEU . 1.1 pt? -174.56 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.603 HD22 ' HG ' ' A' ' 97' ' ' LEU . 1.5 mm? -63.89 -23.16 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 103' ' ' LEU . 7.1 tttp -54.12 -28.54 40.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.348 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -82.87 -38.63 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.75 -39.03 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 102' ' ' LEU . 4.1 pp -74.99 -26.82 59.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 99' ' ' LYS . 13.9 mt -76.63 -46.71 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.742 HD12 ' N ' ' A' ' 105' ' ' LEU . 2.6 pp -63.28 -46.71 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.598 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.742 ' N ' HD12 ' A' ' 104' ' ' ILE . 3.5 pp -63.7 -41.34 98.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.708 0.29 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.725 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.2 m80 -67.48 -40.88 85.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.651 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -30.63 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.87 -37.34 55.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.92 -34.05 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -14.01 62.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--O 1.239 0.513 0 CA-C-O 120.713 0.292 . . . . 0.0 110.889 -179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -144.62 128.69 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 86' ' ' ILE . 28.7 mt-30 -133.65 143.56 48.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -131.89 113.31 13.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.79 HD12 ' CG2' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -88.21 122.38 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.12 103.36 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.6 ' HB2' HD12 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -95.21 152.71 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.304 0.573 . . . . 0.0 110.854 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.7 t 70.28 129.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.081 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' HB2' HD21 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -110.94 -69.48 0.87 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.989 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -153.08 93.01 1.68 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.108 0.48 . . . . 0.0 110.535 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.92 165.86 12.42 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.636 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.73 173.55 1.94 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 120.784 0.326 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -86.3 -3.3 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.412 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.8 m120 -52.75 -34.66 53.84 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.37 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 ptp -65.66 -35.94 82.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.886 0.374 . . . . 0.0 110.783 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' HG22 ' A' ' 50' ' ' ILE . 2.1 tptp -73.2 -25.11 60.63 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -37.68 65.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 84' ' ' ILE . 7.9 t -74.76 -45.41 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.739 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 47' ' ' LYS . 19.1 tt -59.18 -29.32 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.279 0.562 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.49 -52.82 8.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.451 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -67.49 -34.36 76.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.479 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.23 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.46 -49.73 17.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -41.28 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.422 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 88.2 m-20 -64.35 -49.11 72.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.75 -62.0 1.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -57.46 -28.38 63.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -57.98 -36.78 73.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.1 m-85 -79.2 -37.85 37.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 3.9 t80 -70.41 -27.92 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -87.82 -29.28 21.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.531 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.8 -47.73 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' PHE . 87.9 m-70 -118.11 9.39 12.66 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' HIS . 14.5 t80 58.11 131.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.945 0.403 . . . . 0.0 111.542 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.407 ' N ' ' HA ' ' A' ' 61' ' ' PHE . 7.3 mmtm 61.56 130.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.25 163.46 27.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -129.68 -44.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.017 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -91.83 146.05 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -117.44 152.55 34.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.781 HD12 HD12 ' A' ' 86' ' ' ILE . 5.0 tt -137.69 118.37 16.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.932 0.396 . . . . 0.0 111.758 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -97.52 128.17 44.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.086 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.508 ' HB3' HD13 ' A' ' 84' ' ' ILE . 19.2 p90 -133.7 143.55 48.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.0 111.292 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 158.28 34.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.756 ' HA ' HD22 ' A' ' 82' ' ' LEU . 4.3 tt -103.18 126.76 57.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.697 0.76 . . . . 0.0 110.96 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -87.95 116.31 26.03 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.671 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 64.08 144.93 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.561 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.671 ' HD2' HG22 ' A' ' 77' ' ' THR . 10.3 Cg_endo -52.0 -34.51 57.17 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.427 2.085 . . . . 0.0 112.375 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 78' ' ' PRO . 1.3 pt -155.79 75.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.009 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -146.03 -77.56 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.434 0.459 . . . . 0.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.409 ' CZ ' ' O ' ' A' ' 35' ' ' LEU . 6.5 m-85 -136.98 169.64 17.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 111.139 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.756 HD22 ' HA ' ' A' ' 75' ' ' ILE . 1.8 tm? -122.24 125.02 45.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.321 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.64 ' N ' HD13 ' A' ' 82' ' ' LEU . 1.3 m -108.99 124.71 51.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.918 HD11 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -130.03 112.85 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.86 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.46 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 95.8 m-85 -117.27 111.96 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.851 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.781 HD12 HD12 ' A' ' 71' ' ' ILE . 7.8 tt -101.22 99.92 12.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.59 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 84.9 Cg_endo -85.69 126.07 2.93 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.547 2.164 . . . . 0.0 112.148 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 t -162.54 135.12 5.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 1.3 tp -59.02 -19.64 45.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.506 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 61.3 t80 65.12 131.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.43 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.35 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -22.94 45.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -95.13 25.85 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 2.3 t30 -56.0 -22.13 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.0 mtm -89.6 14.19 12.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.401 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.3 102.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.78 -3.88 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.386 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 86' ' ' ILE . 3.6 mm? -64.27 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 111.299 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -24.5 8.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.76 -33.58 68.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.332 0.586 . . . . 0.0 110.638 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -81.38 -38.95 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.93 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.753 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.3 tm? -70.62 -31.83 68.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.533 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -45.1 19.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.733 0.301 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.3 tp -58.07 -39.11 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.141 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.856 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -75.23 -38.85 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.882 0.372 . . . . 0.0 111.003 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.856 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.4 t-80 -72.17 -59.95 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -53.2 -33.22 51.86 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.65 -63.28 1.13 Allowed 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' A' ' 35' ' ' LEU . 14.0 tp -66.34 -21.97 66.26 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -59.79 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 C--O 1.234 0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.338 -179.508 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 4.1 t . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.743 0.306 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.84 129.95 55.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.528 ' NE2' HD22 ' A' ' 98' ' ' LEU . 1.2 tt0 -137.96 143.19 40.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 2.0 pt-20 -135.39 137.2 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.959 0.409 . . . . 0.0 111.665 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 HG21 ' A' ' 84' ' ' ILE . 1.2 mt -115.36 110.99 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.468 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.55 126.77 36.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.397 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.803 HD23 ' HB3' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -131.06 -178.06 4.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.326 178.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.614 ' HB ' HD21 ' A' ' 109' ' ' LEU . 38.6 t -152.07 121.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -78.14 165.03 24.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.894 179.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.695 ' H ' HD23 ' A' ' 35' ' ' LEU . 10.8 ptmt -140.39 123.19 16.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.163 0.506 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.24 102.34 1.25 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.736 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.37 95.85 4.97 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.016 0.436 . . . . 0.0 110.699 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.752 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.976 0.417 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.39 -28.79 23.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.2 m120 -53.2 -43.56 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.332 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -60.66 -29.96 69.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.214 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -34.15 68.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.619 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.7 t -66.51 -51.45 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.575 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.438 ' HB ' ' CZ ' ' A' ' 73' ' ' TYR . 1.7 tt -59.06 -30.26 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -47.76 57.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.185 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.7 -35.44 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.666 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -65.29 -29.71 70.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.831 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -43.0 36.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -59.41 -35.25 73.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.988 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 31.1 m-20 -71.3 -51.43 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.557 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 53' ' ' ALA . 2.2 mt -52.77 -58.28 7.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.085 0.469 . . . . 0.0 110.755 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.2 -27.7 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -35.56 74.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.533 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.446 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 6.9 m-85 -78.58 -37.41 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.361 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.0 t80 -76.78 -20.29 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.021 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.77 -31.65 19.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -52.16 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.964 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -102.44 9.81 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.7 t80 47.18 29.18 1.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.679 0.276 . . . . 0.0 111.298 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.32 151.96 31.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -76.45 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 55.71 29.76 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.626 ' OD2' HG23 ' A' ' 88' ' ' THR . 0.7 OUTLIER -176.12 137.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 mtpm? -127.09 161.88 27.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.485 HG23 ' HB ' ' A' ' 86' ' ' ILE . 20.6 mt -138.92 144.73 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.182 0.515 . . . . 0.0 111.506 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.22 152.0 48.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.706 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.619 ' HB3' HG11 ' A' ' 49' ' ' VAL . 11.8 p90 -143.98 147.09 33.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -164.22 168.78 18.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.549 HG22 HD12 ' A' ' 82' ' ' LEU . 4.8 pt -131.02 165.99 29.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.86 -171.93 0.94 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.629 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 63.69 141.8 0.06 OUTLIER Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HD2' HG22 ' A' ' 77' ' ' THR . 61.9 Cg_endo -73.21 -7.11 20.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.33 2.02 . . . . 0.0 113.226 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 pt -95.12 23.68 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.227 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.19 49.47 17.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.998 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -86.53 131.22 34.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.775 HD11 HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.14 131.89 46.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.96 0.41 . . . . 0.0 111.061 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.86 113.84 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.586 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.499 HG21 HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -100.2 117.65 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.293 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.451 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 15.6 m-85 -102.44 84.83 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.751 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.491 HG23 ' HB3' ' A' ' 29' ' ' GLN . 7.1 tt -93.74 105.22 15.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.77 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 2.9 Cg_exo -75.39 111.36 3.29 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.62 2.214 . . . . 0.0 111.678 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.626 HG23 ' OD2' ' A' ' 69' ' ' ASP . 11.3 m -148.9 140.48 23.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 3.2 mm? -70.15 -27.65 64.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.475 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.548 ' H ' HG22 ' A' ' 88' ' ' THR . 40.1 t80 73.95 142.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 90' ' ' PHE . 11.4 t0 81.6 1.08 1.55 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.342 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -31.46 31.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.962 0.41 . . . . 0.0 110.57 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -103.35 1.56 32.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.226 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.36 60.97 0.16 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.019 0.437 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.7 mtt 59.18 41.18 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.46 86.38 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.66 -73.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.528 HD22 ' NE2' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -68.96 -27.59 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -32.52 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -82.36 -36.5 26.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -73.42 -34.39 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -77.05 -33.89 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.26 -27.6 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.309 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 101' ' ' ALA . 2.0 tp -79.64 -39.13 20.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.293 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.6 pp -70.94 -37.64 72.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 110.718 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.82 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -70.19 -47.63 60.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 111.334 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.72 -51.58 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.33 67.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.87 -42.63 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -81.88 -8.95 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.676 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.234 0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.512 -179.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.681 ' HA ' HD22 ' A' ' 89' ' ' LEU . 1.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.777 0.322 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -134.19 127.72 32.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.4 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HB3' HG23 ' A' ' 86' ' ' ILE . 2.8 tp60 -140.03 143.24 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 4.3 pt-20 -136.07 121.79 19.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.555 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 ' HG ' ' A' ' 102' ' ' LEU . 2.1 mp -97.98 100.02 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.572 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -98.98 130.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.599 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.835 ' CB ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.48 -160.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.624 179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.887 ' HA ' HD22 ' A' ' 109' ' ' LEU . 20.9 t 63.93 124.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' CE1' ' A' ' 81' ' ' PHE . 2.4 tp -132.29 175.14 9.53 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.818 0.699 . . . . 0.0 111.216 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt 67.51 -67.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.72 -98.06 1.79 Allowed Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.938 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 176.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 39' ' ' LEU . 12.0 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 110.888 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.597 0.237 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.59 -29.02 22.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -57.39 -61.31 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -56.65 -37.18 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.5 ' HA ' HG22 ' A' ' 50' ' ' ILE . 6.9 tttt -70.28 -25.27 63.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.011 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.911 ' ND2' HD11 ' A' ' 104' ' ' ILE . 2.0 m120 -72.52 -34.33 67.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.866 HG21 HD11 ' A' ' 84' ' ' ILE . 12.3 t -79.22 -45.4 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 111.488 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' A' ' 47' ' ' LYS . 6.0 tp -57.28 -36.72 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.27 -56.84 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -59.84 -45.57 91.99 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.806 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 71' ' ' ILE . . . -59.79 -28.92 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -46.06 70.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.43 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.55 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 55.9 m-80 -65.19 -56.7 11.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mt -51.08 -58.04 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.121 0.486 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.89 -28.18 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.743 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -58.85 -35.91 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.563 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 69' ' ' ASP . 16.7 m-85 -78.99 -37.23 39.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.749 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -75.06 -24.8 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -87.63 -33.39 18.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.222 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -52.14 3.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.911 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -106.49 9.62 31.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.501 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER 49.11 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.746 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.23 167.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.047 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -95.79 112.09 23.9 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -145.86 152.75 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.439 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER 63.46 105.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.054 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 tppt? -115.99 163.35 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.998 HD12 HD12 ' A' ' 86' ' ' ILE . 20.0 tt -149.18 103.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.44 ' H ' ' HD3' ' A' ' 87' ' ' PRO . 71.0 m -93.64 116.61 29.11 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.796 ' HB2' HD13 ' A' ' 84' ' ' ILE . 25.0 p90 -110.1 147.7 33.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.137 0.494 . . . . 0.0 111.523 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -165.5 168.99 16.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.332 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 82' ' ' LEU . 2.2 pp -114.24 137.62 46.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.3 t -132.45 -169.66 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.451 0.643 . . . . 0.0 110.754 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.6 p 63.13 130.31 0.03 OUTLIER Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.078 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.27 -24.92 28.47 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.605 2.203 . . . . 0.0 113.044 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.566 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.5 mp -72.98 -7.76 10.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.832 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.1 t30 70.27 81.68 0.16 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.437 ' CZ ' ' HB ' ' A' ' 79' ' ' ILE . 22.1 m-85 -119.34 161.59 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 34' ' ' VAL . 7.7 tp -92.21 99.62 12.38 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.774 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.6 m -100.84 95.93 6.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 49' ' ' VAL . 1.1 mm -92.94 129.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.229 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.59 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -124.58 88.03 2.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.908 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.998 HD12 HD12 ' A' ' 71' ' ' ILE . 16.2 tt -84.74 102.57 2.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 123.47 0.481 . . . . 0.0 111.767 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.59 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.4 Cg_endo -87.69 117.72 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.987 2.458 . . . . 0.0 111.671 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.8 t -167.91 143.05 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.199 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 27' ' ' SER . 3.5 mm? -91.19 86.5 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -57.03 99.93 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.1 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.493 -1.23 . . . . 0.0 111.076 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -58.09 2.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.168 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -52.69 -28.56 22.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 55.85 27.29 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.42 -79.26 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.68 94.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 78.97 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 86' ' ' ILE . 4.9 mt -88.02 -26.07 22.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.042 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -55.84 -24.58 37.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.411 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -80.6 -37.22 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -62.23 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.862 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.617 ' HG ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -76.84 -29.96 56.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.9 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.78 58.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.911 HD11 ' ND2' ' A' ' 48' ' ' ASN . 8.6 tp -81.13 -37.63 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.835 HD13 ' CB ' ' A' ' 33' ' ' LEU . 4.5 pp -76.97 -37.21 55.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.817 0.341 . . . . 0.0 110.734 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.742 ' N ' HD12 ' A' ' 105' ' ' LEU . 8.9 t-160 -71.13 -48.75 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.19 -50.13 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.05 -28.57 64.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.887 HD22 ' HA ' ' A' ' 34' ' ' VAL . 45.8 tp -94.4 -16.45 23.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.328 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -55.28 -19.56 8.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.548 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.801 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -133.71 127.25 32.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.936 0.398 . . . . 0.0 111.485 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.811 ' NE2' HD21 ' A' ' 98' ' ' LEU . 11.6 mm100 -147.67 141.85 26.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.609 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.58 137.12 41.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.675 HD22 HD21 ' A' ' 105' ' ' LEU . 6.4 mt -133.56 114.13 13.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.429 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 1.1 pt -79.46 149.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.487 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD23 ' CG2' ' A' ' 34' ' ' VAL . 2.5 tt -132.07 155.44 48.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.613 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.719 ' HA ' HD13 ' A' ' 109' ' ' LEU . 14.0 t 71.59 132.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -52.99 1.11 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.897 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -167.07 97.83 0.52 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.809 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.39 -74.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.548 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.54 147.27 35.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.924 179.491 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.827 0.346 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.05 -27.27 2.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.479 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -54.18 -66.46 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.403 0.44 . . . . 0.0 111.092 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.42 ' HB3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -57.13 -31.02 64.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HA ' HG22 ' A' ' 50' ' ' ILE . 60.4 mmtt -76.51 -23.4 53.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -75.18 -36.8 61.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.737 HG11 ' CB ' ' A' ' 73' ' ' TYR . 16.1 t -76.08 -44.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.165 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 47' ' ' LYS . 4.9 tp -59.98 -43.41 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.47 ' N ' HG23 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -64.65 -54.5 30.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.765 ' ND2' HG21 ' A' ' 104' ' ' ILE . 3.9 m120 -60.62 -46.31 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.867 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -57.29 -31.04 65.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -35.49 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.521 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.45 -51.14 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.583 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 65.4 m-80 -59.83 -56.5 21.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -48.09 -57.62 5.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.72 -28.64 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -36.82 70.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 18.8 m-85 -82.24 -33.04 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.588 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -73.34 -27.81 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -87.57 -26.94 22.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.322 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -97.58 -48.54 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.355 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -96.23 9.81 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.752 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 4.6 t80 51.17 26.49 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.242 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 149.15 26.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.27 115.39 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -128.54 168.64 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.65 127.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 151.72 35.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.826 HG21 ' HB1' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -145.15 126.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 111.417 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.495 ' N ' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -114.73 116.91 29.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.665 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.919 ' HB2' HD12 ' A' ' 84' ' ' ILE . 3.8 p90 -111.47 154.65 24.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -161.28 152.5 18.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.343 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.54 HG23 ' CD1' ' A' ' 82' ' ' LEU . 4.0 mp -106.64 154.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.18 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 75' ' ' ILE . 3.1 m -122.02 110.31 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -81.62 -49.77 0.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.1 Cg_exo -47.12 -26.57 5.35 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.54 2.16 . . . . 0.0 113.09 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 79' ' ' ILE . 18.2 mt -130.86 12.99 2.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 p30 43.28 30.98 0.34 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.078 0.466 . . . . 0.0 111.361 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 31.0 t80 -107.85 166.9 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.236 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.54 ' CD1' HG23 ' A' ' 75' ' ' ILE . 1.5 tp -122.15 136.84 54.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.944 0.402 . . . . 0.0 111.232 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.532 ' C ' HD13 ' A' ' 84' ' ' ILE . 1.7 t -131.94 115.93 16.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.919 HD12 ' HB2' ' A' ' 73' ' ' TYR . 6.2 mm -112.03 93.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 111.471 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -84.63 85.55 7.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.089 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 86' ' ' ILE . 15.7 tt -83.15 106.55 7.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.66 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD3' ' H ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -83.74 116.23 2.2 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.905 2.403 . . . . 0.0 111.883 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -160.23 143.31 13.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.287 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 45.5 tp -86.14 -16.6 37.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.33 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.61 ' CD1' HD22 ' A' ' 97' ' ' LEU . 8.9 t80 63.42 125.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.96 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.671 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -57.23 13.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -57.9 -26.06 61.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.7 m120 53.42 27.71 6.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.252 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -162.48 -77.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -121.93 -175.07 3.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -167.18 -37.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.252 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.811 HD21 ' NE2' ' A' ' 29' ' ' GLN . 1.7 mp -87.99 -20.26 26.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.257 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 103' ' ' LEU . 2.4 tttm -54.32 -26.35 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.31 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -83.23 -43.46 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.694 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.635 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -75.15 -26.65 59.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.048 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 1.1 tt -80.9 -32.38 34.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 99' ' ' LYS . 3.4 mm? -76.76 -28.68 55.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.765 HG21 ' ND2' ' A' ' 52' ' ' ASN . 1.1 pp -82.67 -38.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.675 HD21 HD22 ' A' ' 31' ' ' LEU . 3.8 pp -78.14 -36.39 47.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 21.1 t60 -71.35 -53.85 12.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.04 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -59.64 -30.95 69.09 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.928 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.029 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 34' ' ' VAL . 3.9 tp -99.51 -0.81 39.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.861 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -72.35 0.31 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.322 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -179.861 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.441 ' HB2' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.197 0.522 . . . . 0.0 111.478 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -120.73 146.61 46.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB2' HG23 ' A' ' 86' ' ' ILE . 55.1 mm-40 -134.98 143.14 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.36 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.52 128.45 31.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 84' ' ' ILE . 1.8 mp -98.18 114.2 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 32' ' ' ILE . 11.7 tt -77.74 109.0 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.7 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 105' ' ' LEU . 3.4 mt -100.78 128.98 46.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.228 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 t -115.71 104.25 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.272 0.558 . . . . 0.0 111.21 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.737 HD11 ' OG ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -96.78 157.81 15.72 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.024 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.62 75.12 9.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.958 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.36 138.88 25.87 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.424 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.42 49.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.782 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.737 ' OG ' HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.375 0 CA-C-O 120.782 0.325 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -86.6 -3.34 59.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.394 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -40.17 -57.53 1.68 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 111.965 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -53.86 51.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 50' ' ' ILE . 7.4 ttmt -60.19 -25.95 65.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.84 -41.38 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.368 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.792 HG11 ' HB3' ' A' ' 73' ' ' TYR . 62.1 t -61.34 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 47' ' ' LYS . 6.5 mt -60.29 -37.18 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -50.01 14.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -55.3 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.548 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -54.91 -30.91 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -81.9 -52.24 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -58.21 -44.5 88.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 71.2 m-20 -62.77 -56.56 16.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.619 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.816 ' HG ' HD12 ' A' ' 71' ' ' ILE . 36.3 mt -48.04 -60.03 2.92 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.44 -27.54 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -36.45 73.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.747 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 4.3 m-85 -84.49 -35.45 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.22 -29.1 65.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -87.26 -32.76 19.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.92 -48.54 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.073 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -97.73 9.79 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.606 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 63.43 -72.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.4 OUTLIER -127.34 100.44 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.812 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.09 -178.94 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.17 104.73 10.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -173.47 139.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -137.24 140.31 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.816 HD12 ' HG ' ' A' ' 57' ' ' LEU . 30.0 mt -133.8 132.37 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 111.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.28 174.27 10.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.761 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.901 ' HB2' HD13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -160.06 155.75 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -163.78 168.85 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 0.0 111.921 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 81' ' ' PHE . 3.4 mp -105.52 149.49 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.033 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.59 -177.55 6.56 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 111.275 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.612 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 70.37 142.42 0.09 OUTLIER Pre-proline 0 CA--C 1.518 -0.256 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.08 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.612 ' HD2' HG22 ' A' ' 77' ' ' THR . 88.9 Cg_exo -46.76 -31.51 10.75 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.701 2.268 . . . . 0.0 111.847 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 80' ' ' ASN . 8.1 mt -96.37 165.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.906 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.489 ' N ' HG22 ' A' ' 79' ' ' ILE . 2.5 m120 -64.57 72.71 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.934 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ILE . 2.1 t80 -95.66 127.52 41.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HB3' HD12 ' A' ' 33' ' ' LEU . 4.5 mm? -95.61 102.67 14.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.0 116.8 32.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.901 HD13 ' HB2' ' A' ' 73' ' ' TYR . 5.0 mm -86.76 142.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -129.27 86.69 2.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.253 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 29' ' ' GLN . 5.3 tt -95.51 104.31 15.44 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.613 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -83.45 121.04 2.93 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 t -172.11 172.61 4.57 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.21 0.528 . . . . 0.0 112.123 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 tp -108.33 91.81 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.614 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 27' ' ' SER . 9.0 p90 -62.53 84.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 110.744 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -178.01 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -58.26 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.621 ' CG ' HD21 ' A' ' 97' ' ' LEU . 1.4 m120 -61.53 -23.69 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.965 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.28 29.68 5.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.7 mtp -128.55 -80.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.14 -62.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 93' ' ' ASN . 10.9 mt 73.47 -60.35 0.53 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 86' ' ' ILE . 4.2 mt -51.83 -23.94 5.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.437 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -28.62 1.7 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -57.42 3.81 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.84 0.352 . . . . 0.0 110.124 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.68 -43.1 84.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.572 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -62.29 -30.79 71.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -25.34 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.8 mm -77.03 -44.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.775 ' CB ' HD23 ' A' ' 33' ' ' LEU . 1.5 pp -65.85 -34.96 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.758 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.24 -43.54 70.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.185 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.57 -29.39 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -30.16 41.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 0.0 111.13 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.27 -29.13 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.1 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -75.07 -6.95 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.598 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.105 -179.74 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.883 0.373 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 117.96 24.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.517 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.5 tt0 -115.92 143.51 45.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.001 0.429 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -134.84 137.21 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.177 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 98' ' ' LEU . 4.8 mp -120.87 114.67 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 pt -78.04 119.61 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -106.05 -175.82 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.031 0.443 . . . . 0.0 110.895 179.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.543 ' H ' HD23 ' A' ' 33' ' ' LEU . 61.2 t -144.23 119.06 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -69.52 147.64 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.93 177.15 8.24 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.22 0.533 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.0 135.62 7.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.38 121.89 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.237 0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.688 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.847 0.356 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.17 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.537 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -56.95 -58.3 8.76 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -77.36 -23.05 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.513 ' OD1' HG21 ' A' ' 104' ' ' ILE . 18.5 t-20 -74.9 -35.11 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 84' ' ' ILE . 15.5 t -79.4 -42.33 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.5 tt -61.79 -36.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.74 -50.72 22.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.411 ' ND2' HG21 ' A' ' 104' ' ' ILE . 3.7 m-80 -66.53 -50.35 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -56.84 -28.16 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' A' ' 57' ' ' LEU . 4.0 mtmp? -78.27 -56.19 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.11 -36.0 67.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.431 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 70.9 m-20 -70.36 -42.65 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 54' ' ' LYS . 8.4 mt -51.95 -61.66 2.12 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.059 0.456 . . . . 0.0 110.851 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.06 -27.82 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -59.23 -34.81 72.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.445 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 8.7 m-85 -80.22 -34.61 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -70.75 -28.36 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.013 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -88.03 -32.3 18.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.409 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 -51.54 4.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.94 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -104.08 9.61 36.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.511 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 45.54 -164.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.441 179.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.24 107.99 0.84 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 179.99 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 36.9 p90 -56.59 156.79 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.445 ' CB ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -81.06 -154.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.663 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' A' ' 87' ' ' PRO . 1.6 tttt -123.17 150.92 42.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.713 HG23 ' CG1' ' A' ' 86' ' ' ILE . 10.3 mt -117.54 144.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.278 0.561 . . . . 0.0 111.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -138.33 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.227 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.855 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.5 p90 -160.07 153.89 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -149.92 160.76 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 35' ' ' LEU . 16.0 tt -114.21 136.12 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 m -104.79 84.48 2.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.814 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -58.27 -61.67 7.07 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.456 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.6 Cg_endo -54.15 -24.38 33.13 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.465 2.11 . . . . 0.0 112.262 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.5 mm -92.07 -15.77 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 64.64 21.32 12.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.63 168.65 19.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 4.0 mm? -104.64 138.21 41.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.92 94.28 4.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.357 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.855 HD13 ' HB2' ' A' ' 73' ' ' TYR . 2.7 mm -83.03 133.23 29.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.336 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.3 m-85 -129.22 101.06 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.716 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.713 ' CG1' HG23 ' A' ' 71' ' ' ILE . 5.8 tt -104.04 97.56 11.67 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 7.2 Cg_exo -72.77 105.89 2.01 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.587 2.191 . . . . 0.0 112.501 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.87 HG22 ' H ' ' A' ' 90' ' ' PHE . 53.1 m -132.92 148.14 52.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.471 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 tp -105.02 15.54 27.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.87 ' H ' HG22 ' A' ' 88' ' ' THR . 4.4 t80 60.37 120.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.43 . . . . 0.0 110.733 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.88 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.44 136.34 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' HB2' HD13 ' A' ' 97' ' ' LEU . 2.5 p-10 42.46 30.08 0.19 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.587 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -54.42 -25.95 27.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.1 mtm -60.62 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.71 147.19 5.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 93' ' ' ASN . 0.7 OUTLIER 179.74 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.94 -19.91 5.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.745 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -45.28 -27.85 0.72 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.056 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.09 -44.64 37.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.996 0.427 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.45 75.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -78.78 -29.32 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.893 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.92 -29.09 65.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.513 HG21 ' OD1' ' A' ' 48' ' ' ASN . 26.7 pt -84.72 -45.17 17.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.323 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.569 ' C ' HD12 ' A' ' 105' ' ' LEU . 2.9 pp -66.77 -33.87 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.444 ' N ' HD12 ' A' ' 105' ' ' LEU . 31.3 t60 -76.5 -31.76 57.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.342 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 110' ' ' HIS . 1.4 m-20 -62.34 -38.84 91.06 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.692 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.29 -14.67 37.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -63.21 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.01 0.434 . . . . 0.0 111.009 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.452 ' CE1' ' HA ' ' A' ' 107' ' ' ASN . 2.0 p-80 -63.41 -15.69 58.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.427 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 134.25 35.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.4 mm-40 -134.4 143.39 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -135.26 137.18 42.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.277 -179.344 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.608 HD13 ' HB1' ' A' ' 101' ' ' ALA . 2.3 mt -107.64 148.84 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.648 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 32' ' ' ILE . 9.3 tp -109.96 124.67 66.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -123.03 154.9 37.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.797 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -148.23 117.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.138 0.494 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.68 HD13 HD22 ' A' ' 45' ' ' ASN . 3.1 tp -110.85 -165.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.862 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.99 130.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.02 27.85 3.32 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.663 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -94.92 97.19 9.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.215 0.531 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.236 0.372 0 CA-C-O 120.801 0.334 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -38.4 87.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.724 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.68 HD22 HD13 ' A' ' 35' ' ' LEU . 39.3 t-20 -70.37 -50.89 34.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG3' HD11 ' A' ' 75' ' ' ILE . 1.6 ttt -55.72 -53.17 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.3 -23.85 64.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.339 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -70.89 -37.55 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.205 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 73' ' ' TYR . 21.7 t -73.97 -48.18 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.194 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -57.33 -35.23 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.172 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -43.12 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' OD1' HD11 ' A' ' 104' ' ' ILE . 18.7 m120 -72.41 -53.51 12.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.826 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -56.12 -28.77 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -78.32 -47.81 16.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -42.3 75.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 29.4 m-20 -64.91 -62.75 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 53' ' ' ALA . 3.8 mt -44.27 -55.73 4.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 3.0 mt-10 -55.32 -38.83 69.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -24.65 61.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.022 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 98.6 m-85 -82.47 -54.59 5.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 58' ' ' GLU . 8.4 p90 -85.32 -28.32 25.32 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.885 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -87.49 -37.55 16.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.514 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.69 -51.68 4.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.581 0.229 . . . . 0.0 111.471 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -90.09 9.66 27.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.706 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 43.24 33.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 155.92 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -108.63 91.67 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -150.85 163.08 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.82 92.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.631 ' HA ' HD21 ' A' ' 57' ' ' LEU . 6.6 mttt -108.21 156.34 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.981 HD11 HD11 ' A' ' 97' ' ' LEU . 2.5 mp -133.97 146.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.283 0.564 . . . . 0.0 111.859 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.32 133.24 32.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.748 ' HB3' HG11 ' A' ' 49' ' ' VAL . 22.1 p90 -133.31 158.62 42.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -156.46 154.1 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.522 HD11 ' HG3' ' A' ' 46' ' ' MET . 4.7 mt -102.79 142.59 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.15 112.61 24.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.668 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -65.29 -61.8 5.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.505 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.0 Cg_endo -51.8 116.47 2.78 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.544 2.162 . . . . 0.0 112.571 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 79' ' ' ILE . 23.0 mm 72.6 9.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.66 62.76 2.47 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.744 ' C ' HD22 ' A' ' 82' ' ' LEU . 3.9 m-85 -107.22 162.31 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.632 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 81' ' ' PHE . 3.1 mm? -122.64 108.89 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.21 116.74 32.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.766 HG13 HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -115.82 131.33 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.469 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 4.9 m-85 -129.14 90.77 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.606 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -87.46 106.01 10.22 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.1 Cg_exo -79.75 111.79 2.81 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.722 2.281 . . . . 0.0 112.214 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.42 HG22 ' HG3' ' A' ' 29' ' ' GLN . 12.7 t -126.6 -177.15 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.35 -9.62 14.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.469 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 64.21 136.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.05 0.452 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.0 t70 70.34 25.41 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.8 81.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.611 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 58.89 24.39 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.007 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 p-10 -65.94 -31.21 72.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.1 mmm -70.71 -29.44 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.97 51.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.981 HD11 HD11 ' A' ' 71' ' ' ILE . 7.5 tt -169.04 -61.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 86' ' ' ILE . 4.4 tp -60.87 -29.58 69.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -32.91 70.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -49.57 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.608 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -59.07 -43.81 91.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.834 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 105' ' ' LEU . 4.1 mt -67.15 -29.94 69.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -29.52 66.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 101' ' ' ALA . 18.7 mt -76.25 -54.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 102' ' ' LEU . 3.0 pp -57.55 -30.04 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.066 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -53.64 11.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.518 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.55 -44.36 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 110.985 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.55 -24.87 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tt -95.45 -32.68 12.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.09 -18.48 42.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.8 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.321 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.501 ' HG ' ' HE1' ' A' ' 90' ' ' PHE . 5.4 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -176.48 138.11 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -116.02 143.19 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 1.9 pp20? -122.08 117.99 27.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.338 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HB3' HD21 ' A' ' 105' ' ' LEU . 1.2 mp -95.54 145.13 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.589 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 pt -112.3 133.37 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.458 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.745 HD22 ' H ' ' A' ' 34' ' ' VAL . 2.6 tm? -115.05 146.58 41.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.212 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.745 ' H ' HD22 ' A' ' 33' ' ' LEU . 29.8 t -123.52 107.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.361 0.6 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 ' OD1' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -87.23 53.49 2.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.982 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -74.09 135.06 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.77 56.73 1.48 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.166 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -148.25 120.82 8.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 110.742 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.8 179.523 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 111.563 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -86.65 -35.1 19.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 0.0 111.001 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.58 ' OD1' HD11 ' A' ' 35' ' ' LEU . 5.9 m120 -58.7 -45.57 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.595 ' HB3' HD11 ' A' ' 75' ' ' ILE . 18.4 ptp -57.78 -45.41 86.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 50' ' ' ILE . 5.1 mtpp -67.61 -23.62 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -72.49 -41.55 65.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.692 HG11 ' CB ' ' A' ' 73' ' ' TYR . 19.6 t -67.46 -49.05 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.7 tt -60.61 -39.73 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.77 -44.2 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' HG21 ' A' ' 104' ' ' ILE . 13.0 m120 -66.66 -47.69 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -57.75 -30.65 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.66 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -78.22 -50.04 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -58.74 -33.12 69.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.596 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 77.7 m-20 -70.08 -49.19 53.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.703 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 53' ' ' ALA . 3.6 mt -49.75 -58.9 4.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 110.842 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.75 -30.43 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.779 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -36.46 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.7 m-85 -79.58 -34.73 40.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.9 t80 -77.39 -25.08 50.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.317 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -32.93 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.232 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -50.99 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -109.42 9.8 25.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.3 t80 47.35 29.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.737 0.304 . . . . 0.0 111.337 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 136.5 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -23.73 10.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.53 89.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.532 ' O ' HD21 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -179.37 106.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -104.95 154.06 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.438 ' CD1' ' HB1' ' A' ' 53' ' ' ALA . 46.3 mt -138.22 142.28 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.092 0.472 . . . . 0.0 111.55 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.91 121.57 17.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.954 ' HB2' HD12 ' A' ' 84' ' ' ILE . 8.0 p90 -127.0 153.09 46.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -163.22 168.82 20.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.595 HD11 ' HB3' ' A' ' 46' ' ' MET . 21.3 mt -122.52 143.98 33.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.416 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 m -165.38 -171.52 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.2 m 68.0 119.41 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 36.8 Cg_exo -60.6 -15.6 37.78 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.469 2.113 . . . . 0.0 112.513 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 79' ' ' ILE . 14.7 mt -93.73 31.63 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.473 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 52.43 69.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.222 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -119.62 123.75 44.65 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 75' ' ' ILE . 1.9 tp -92.53 122.76 35.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.973 0.416 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.4 ' C ' HD13 ' A' ' 84' ' ' ILE . 13.5 p -108.32 101.4 10.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.541 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.954 HD12 ' HB2' ' A' ' 73' ' ' TYR . 4.5 mm -103.72 123.14 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.488 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -119.71 85.8 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CD1' HG12 ' A' ' 71' ' ' ILE . 7.4 tt -83.33 105.87 6.2 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.237 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -83.59 118.09 2.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.118 2.545 . . . . 0.0 112.195 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.577 ' C ' HD12 ' A' ' 89' ' ' LEU . 8.9 t -149.82 171.85 16.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.095 0.474 . . . . 0.0 111.774 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.622 ' N ' HD12 ' A' ' 89' ' ' LEU . 4.6 mp -118.2 77.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 17.5 p90 -60.91 86.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 0.0 110.938 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -178.88 -44.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.788 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -50.6 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.68 -28.47 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.28 22.29 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.34 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 mmt -156.86 26.99 0.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.55 96.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 110.676 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.91 85.17 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 98' ' ' LEU . 4.5 pp -75.54 -17.8 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.484 ' N ' HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -56.79 -20.77 24.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.394 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -70.62 -50.02 41.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.023 0.44 . . . . 0.0 110.149 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.882 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -58.1 -45.74 86.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.441 ' HA ' HD21 ' A' ' 105' ' ' LEU . 1.6 tt -64.03 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.81 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -40.84 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.882 HD12 ' HA ' ' A' ' 101' ' ' ALA . 6.7 mt -60.42 -49.29 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 106' ' ' HIS . 3.9 pp -71.12 -48.29 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.76 ' N ' HD12 ' A' ' 105' ' ' LEU . 56.5 t-80 -61.34 -52.01 66.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -58.35 -38.38 77.09 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -39.28 84.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.606 0.241 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.806 ' O ' HD23 ' A' ' 109' ' ' LEU . 5.6 tt -81.37 -34.29 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -16.86 49.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.611 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.554 0.216 . . . . 0.0 111.161 -179.691 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 1.4 m . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 120.518 0.199 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -131.51 115.67 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.784 ' HB3' HG23 ' A' ' 86' ' ' ILE . 1.8 tp-100 -124.43 137.42 54.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -136.22 126.61 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' HB ' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -95.32 133.81 38.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 pt -87.67 96.23 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.57 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.845 HD22 ' HG ' ' A' ' 82' ' ' LEU . 2.8 tt -112.34 159.91 18.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.695 ' N ' HD23 ' A' ' 33' ' ' LEU . 45.1 t -144.26 119.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.623 . . . . 0.0 111.413 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.92 HD12 HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -73.68 165.59 24.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.69 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.699 ' CB ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -92.34 169.59 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.92 -75.9 1.07 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.391 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -78.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.591 0.234 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD13 ' CB ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.936 0.398 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -24.51 60.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.079 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.55 ' ND2' HD21 ' A' ' 33' ' ' LEU . 1.4 m120 -55.89 -53.9 51.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -54.45 -35.52 63.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.071 0.463 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' HA ' HG22 ' A' ' 50' ' ' ILE . 3.6 ttpp -72.37 -24.83 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.65 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -36.84 67.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG21 HD11 ' A' ' 84' ' ' ILE . 16.4 t -73.0 -49.59 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -58.13 -27.44 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -45.1 34.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -76.08 -48.25 21.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -58.58 -28.54 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.998 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -44.45 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -38.75 85.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.579 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 86.9 m-20 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.567 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 53' ' ' ALA . 10.4 mt -49.55 -59.4 3.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.72 -29.62 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -36.85 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.3 m-85 -81.16 -33.09 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.492 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.526 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.8 t80 -68.54 -29.32 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.02 -27.12 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.3 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.33 -49.38 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.675 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.69 9.74 11.5 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 51.07 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.883 0.373 . . . . 0.0 111.204 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 123.37 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.76 -54.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -159.14 -177.33 6.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.009 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 70.08 119.53 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HD2' HD21 ' A' ' 57' ' ' LEU . 1.7 mmmt -147.53 164.91 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.451 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.543 HD12 ' HG ' ' A' ' 57' ' ' LEU . 2.9 mp -136.32 136.25 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.314 0.578 . . . . 0.0 111.901 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -138.51 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.39 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.818 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.3 p90 -159.99 148.49 17.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 111.178 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -149.93 169.08 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.818 ' CG2' HD22 ' A' ' 82' ' ' LEU . 2.7 pp -135.35 151.29 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.805 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.459 ' C ' HG23 ' A' ' 77' ' ' THR . 44.4 m -164.78 -172.12 2.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 76' ' ' SER . 1.4 p 69.23 140.93 0.07 OUTLIER Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.79 -36.66 83.15 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.479 2.119 . . . . 0.0 112.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -8.48 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.65 83.96 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.205 0.526 . . . . 0.0 111.196 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -108.48 140.44 41.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.515 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -101.43 93.74 5.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.382 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.66 110.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.818 HD13 ' HB2' ' A' ' 73' ' ' TYR . 5.5 mm -98.66 116.5 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.42 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -112.18 95.59 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.784 HG23 ' HB3' ' A' ' 29' ' ' GLN . 13.4 tt -103.31 102.5 29.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.076 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 15.0 Cg_exo -68.79 133.25 26.87 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.579 2.186 . . . . 0.0 112.181 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.7 t -171.81 134.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.956 0.408 . . . . 0.0 111.37 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.0 mp -94.67 -20.26 19.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.977 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 t80 59.38 109.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.05 0.452 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 90' ' ' PHE . 27.1 t0 166.76 -43.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.247 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -16.08 15.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.279 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.406 ' OD1' ' CE1' ' A' ' 60' ' ' TYR . 3.0 m-20 -50.8 -42.19 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.92 19.65 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.94 81.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.794 0.33 . . . . 0.0 110.768 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.66 105.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -98.57 32.17 2.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.017 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.525 HD11 HG21 ' A' ' 86' ' ' ILE . 3.7 mm? -83.36 -30.6 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -62.65 -23.04 66.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.23 -32.23 55.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.412 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.81 -30.36 51.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -77.58 -35.87 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.371 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 103' ' ' LEU . 3.6 pp -76.51 -30.53 57.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -75.02 -39.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.213 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.875 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -70.77 -33.89 71.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.875 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.31 -43.71 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.656 0.597 . . . . 0.0 110.815 179.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.0 -46.96 85.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -34.71 74.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.655 HD21 ' HB ' ' A' ' 34' ' ' VAL . 6.4 mt -68.87 -58.58 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -62.82 -30.24 71.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.806 0.336 . . . . 0.0 110.786 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 139.37 34.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.571 ' HB2' HG23 ' A' ' 86' ' ' ILE . 4.3 mm-40 -137.86 138.97 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -135.61 137.21 41.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.34 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.16 148.89 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.5 128.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.948 HD23 HD22 ' A' ' 105' ' ' LEU . 2.6 mt -129.24 152.47 48.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.644 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.3 t -148.5 118.0 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.213 0.53 . . . . 0.0 111.552 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 170.22 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.783 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.97 111.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.64 -173.52 27.15 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.434 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -150.4 71.61 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.694 0.283 . . . . 0.0 110.882 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.917 0.389 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -26.57 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.023 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -58.15 -63.17 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.049 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -31.7 72.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.668 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 50' ' ' ILE . 2.7 tptp -73.08 -26.73 61.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -73.07 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.942 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.5 t -75.59 -44.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 47' ' ' LYS . 1.1 tt -59.71 -33.65 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -73.68 -48.77 29.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.636 ' OD1' HG21 ' A' ' 104' ' ' ILE . 34.1 m120 -71.66 -49.61 38.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.53 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -81.37 -44.02 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -39.46 83.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 50.7 m-20 -70.09 -54.75 11.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -48.42 -54.66 13.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -61.09 -29.17 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -58.15 -36.47 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.638 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 49.2 m-85 -78.73 -43.52 25.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.696 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 65' ' ' PHE . 7.7 t80 -70.34 -21.8 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -87.74 -23.06 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.73 -46.01 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.931 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 7.35 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 61' ' ' PHE . 1.1 t80 34.84 83.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.3 OUTLIER 175.17 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.626 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER 37.84 91.99 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.077 0.465 . . . . 0.0 111.732 -179.629 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 93' ' ' ASN . 0.4 OUTLIER -95.66 41.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.173 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 179.84 138.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -113.19 157.84 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.535 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.8 mt -123.76 141.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.292 0.568 . . . . 0.0 111.828 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.32 165.43 26.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.31 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.942 ' HB3' HG11 ' A' ' 49' ' ' VAL . 38.7 p90 -146.18 160.64 41.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 0.0 111.486 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.12 126.33 12.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.742 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' CD1' ' A' ' 82' ' ' LEU . 1.1 tt -102.68 118.43 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.82 41.37 3.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.523 ' HB ' ' HD3' ' A' ' 78' ' ' PRO . 51.7 m -65.54 -55.91 21.67 Favored Pre-proline 0 N--CA 1.453 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 77' ' ' THR . 37.3 Cg_endo -66.05 -25.49 51.4 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.292 1.995 . . . . 0.0 112.175 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mm -86.94 -34.43 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.007 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -176.46 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -137.03 170.46 16.06 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.264 0.554 . . . . 0.0 112.175 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.638 ' CD1' HD12 ' A' ' 75' ' ' ILE . 6.7 tp -97.58 114.02 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.249 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.1 p -125.63 133.68 52.14 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.462 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.897 HD11 HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -100.7 145.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -129.14 104.57 7.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.406 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 29' ' ' GLN . 5.5 tt -102.34 103.87 33.78 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -81.27 110.41 2.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.999 2.466 . . . . 0.0 112.69 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 88' ' ' THR . 10.0 t -122.7 106.83 11.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.566 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tp -50.98 -31.39 17.8 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 t80 63.56 134.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.141 0.496 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.89 -61.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.47 31.12 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 13.0 p-10 -98.51 -34.65 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.062 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 60.83 66.35 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.8 ttt 65.46 96.55 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.745 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -179.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.39 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.01 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.521 HD11 ' NE2' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -74.75 -10.46 59.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.591 ' HA ' HD21 ' A' ' 102' ' ' LEU . 1.3 mtpt -55.69 -23.04 26.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.379 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.768 ' OE1' HD11 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.35 -51.87 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.851 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.55 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 103' ' ' LEU . 4.4 pp -76.18 -39.33 55.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.776 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.686 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.56 -21.99 62.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.006 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.768 HD11 ' OE1' ' A' ' 100' ' ' GLN . 16.1 mt -82.19 -43.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.948 HD22 HD23 ' A' ' 33' ' ' LEU . 3.7 pp -70.57 -29.34 65.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.425 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -75.8 -52.13 11.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -58.08 -37.14 73.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.77 -32.99 71.79 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -33.77 46.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 -179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.957 0.408 . . . . 0.0 110.768 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -84.46 117.7 23.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.6 tp60 -118.99 143.29 47.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.692 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -132.61 131.03 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -102.41 141.28 35.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.679 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.5 124.42 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.307 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.746 HD12 HG13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -118.16 160.97 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.552 ' HB ' HD11 ' A' ' 109' ' ' LEU . 21.7 t -153.31 119.42 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.033 0.444 . . . . 0.0 111.092 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -115.62 88.11 2.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.706 -179.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -138.15 163.2 32.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.268 0.556 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.59 -43.43 1.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.828 -0.186 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 111.102 179.674 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -78.8 -3.11 42.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.588 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.422 ' CG ' HD23 ' A' ' 35' ' ' LEU . 44.1 t30 -54.54 -45.82 73.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -45.94 84.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' ' 50' ' ' ILE . 19.6 tttt -68.37 -23.67 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -71.4 -42.17 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.764 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 84' ' ' ILE . 22.0 t -68.14 -50.0 62.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.4 tt -59.06 -29.92 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.741 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -75.7 -47.14 27.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -45.76 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.81 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -59.27 -30.25 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.769 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -78.5 -47.62 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.587 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.42 76.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.445 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 66.3 m-20 -66.71 -57.9 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.557 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.7 mt -43.33 -55.59 3.99 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.174 0.511 . . . . 0.0 110.998 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.483 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 6.3 mt-10 -55.43 -36.91 67.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -26.18 66.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 93.0 m-85 -82.28 -51.58 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 58' ' ' GLU . 6.9 p90 -87.18 -30.1 21.27 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.936 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 17.9 tttt -87.55 -36.38 17.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -97.23 -28.44 14.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.652 0.263 . . . . 0.0 111.586 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.66 9.65 19.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 45.68 98.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.602 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 137.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.01 171.78 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -117.52 92.14 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -178.94 148.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.178 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -143.0 159.48 42.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 86' ' ' ILE . 32.1 mt -135.33 136.21 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.318 0.58 . . . . 0.0 111.88 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 168.12 20.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.151 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.935 ' HB2' HD13 ' A' ' 84' ' ' ILE . 1.6 p90 -160.08 159.48 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.968 0.413 . . . . 0.0 111.647 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -151.57 154.32 36.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 82' ' ' LEU . 5.9 mt -103.41 130.21 54.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.14 106.94 18.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.621 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 64.96 141.66 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.354 0 CA-C-O 121.111 0.482 . . . . 0.0 110.481 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 77' ' ' THR . 50.1 Cg_exo -53.17 -25.01 28.04 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.354 2.036 . . . . 0.0 112.354 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -158.16 82.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.952 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -157.21 -83.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.61 ' C ' HD22 ' A' ' 82' ' ' LEU . 38.4 m-85 -136.7 169.81 17.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.422 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 81' ' ' PHE . 2.8 mm? -120.32 133.07 55.52 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.48 0.487 . . . . 0.0 110.577 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.46 112.62 18.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 0.0 111.448 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.935 HD13 ' HB2' ' A' ' 73' ' ' TYR . 4.4 mm -98.24 134.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.448 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.431 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.2 m-85 -127.19 90.12 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 29' ' ' GLN . 5.5 tt -91.7 106.5 17.21 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 2.0 Cg_endo -82.42 111.36 2.07 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.913 2.409 . . . . 0.0 112.462 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -129.76 146.86 51.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.926 0.393 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.676 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -112.08 85.85 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -59.03 85.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.516 0.674 . . . . 0.0 111.276 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -145.96 24.3 1.33 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.019 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.55 -68.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -14.52 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.933 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 18.61 5.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 166.33 89.42 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.742 ' HB3' HD12 ' A' ' 98' ' ' LEU . 13.8 t0 -54.35 145.45 17.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.97 67.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -81.71 -12.4 58.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.277 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.462 ' O ' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -55.95 -22.4 26.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.264 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.85 -58.91 3.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.962 0.411 . . . . 0.0 110.226 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.8 66.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HA ' HD21 ' A' ' 105' ' ' LEU . 10.0 mt -62.77 -31.58 72.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.754 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -74.84 -40.57 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.7 mm -58.11 -52.48 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.185 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.552 ' HA ' HD21 ' A' ' 33' ' ' LEU . 3.6 pp -63.12 -42.5 99.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.985 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.477 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -63.44 -45.66 89.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.787 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -58.54 -29.48 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.714 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.89 -35.34 67.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.552 HD11 ' HB ' ' A' ' 34' ' ' VAL . 3.0 mt -90.41 -27.1 19.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.53 -7.21 54.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.308 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.446 . . . . 0.0 111.025 -179.643 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.76 0.314 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.73 166.95 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.676 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.38 143.77 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.374 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -127.71 125.13 39.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.033 0.444 . . . . 0.0 111.488 -179.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 98' ' ' LEU . 5.4 mp -113.7 148.23 36.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -113.22 142.13 26.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.872 HD11 HG13 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -133.37 158.79 42.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 t -153.9 120.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.314 0.578 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.1 135.64 47.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.038 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.77 124.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 110.939 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 -56.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.44 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.3 -61.71 1.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.817 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.846 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.804 0.335 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.94 -3.44 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.432 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.445 ' OD1' HD22 ' A' ' 33' ' ' LEU . 1.6 t-20 -54.84 -52.96 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.474 ' HB3' HG21 ' A' ' 75' ' ' ILE . 26.0 ptm -58.62 -45.41 89.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.721 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.521 ' HA ' HG22 ' A' ' 50' ' ' ILE . 11.4 mttp -70.87 -20.9 62.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.547 ' HB3' HG23 ' A' ' 104' ' ' ILE . 1.2 m120 -74.66 -35.39 62.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 84' ' ' ILE . 21.8 t -76.63 -43.35 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.3 tt -61.73 -35.73 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.726 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.21 -44.54 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.563 ' CB ' HD11 ' A' ' 104' ' ' ILE . 4.9 m-80 -71.99 -46.92 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.669 ' HB1' HG21 ' A' ' 71' ' ' ILE . . . -57.36 -31.03 65.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -45.68 15.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -60.88 -34.37 74.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 72.7 m-20 -72.29 -49.61 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.451 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 53' ' ' ALA . 7.1 mt -49.31 -59.19 3.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.39 -25.6 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.678 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -32.09 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.638 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.2 m-85 -86.31 -35.59 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.686 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.5 t80 -75.98 -32.7 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -88.15 -39.24 14.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.571 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.81 -52.31 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.947 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -100.23 9.5 42.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 8.2 t80 58.0 133.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.022 0.439 . . . . 0.0 111.382 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER 63.61 139.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.12 150.31 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -142.17 -46.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' OD2' HG21 ' A' ' 88' ' ' THR . 6.8 t70 -60.03 116.02 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -107.35 157.01 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.256 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.707 HD12 HD12 ' A' ' 86' ' ' ILE . 9.6 tt -139.9 144.35 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 0.0 111.86 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -129.39 117.05 19.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.442 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.644 ' CB ' HG11 ' A' ' 49' ' ' VAL . 27.1 p90 -121.05 153.83 36.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.588 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -151.32 153.07 34.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -124.3 141.53 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.935 0.397 . . . . 0.0 111.532 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.77 104.86 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -75.6 -50.33 3.45 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.895 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.3 Cg_exo -48.07 -32.88 19.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.273 1.982 . . . . 0.0 112.471 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.91 -14.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.99 30.35 11.86 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 111.101 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.51 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -121.6 146.98 46.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.714 ' HB3' HD13 ' A' ' 33' ' ' LEU . 3.3 mm? -110.24 118.39 36.21 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.2 m -108.71 133.33 52.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.872 HG13 HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -133.82 126.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.067 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.482 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -129.41 92.74 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.151 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.707 HD12 HD12 ' A' ' 71' ' ' ILE . 11.5 tt -86.16 105.49 7.6 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.888 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 4.1 Cg_endo -86.73 115.47 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.924 2.416 . . . . 0.0 111.85 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.406 HG21 ' OD2' ' A' ' 69' ' ' ASP . 4.9 t -152.67 178.8 9.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.033 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mp -123.34 100.06 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 29.8 p90 -69.05 87.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.278 0.561 . . . . 0.0 110.802 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.16 -68.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 mtp -62.17 -28.96 70.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.78 -36.58 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 54.95 23.63 5.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtp 175.84 78.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -77.31 143.81 38.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 tp -145.03 72.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -73.26 -10.46 59.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -20.36 44.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.411 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -72.48 -48.41 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.992 0.425 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -62.63 -46.75 86.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.618 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.423 ' HG ' HD21 ' A' ' 31' ' ' LEU . 4.3 mt -59.5 -29.97 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.01 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.384 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 101' ' ' ALA . 26.4 mt -70.12 -49.38 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.98 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.68 ' HA ' HD23 ' A' ' 33' ' ' LEU . 3.2 pp -70.52 -32.63 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -69.49 -46.67 66.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -69.67 -31.06 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.01 -32.21 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 105' ' ' LEU . 4.1 pp -99.98 -23.48 14.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.47 -6.64 31.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.778 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 111.944 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.718 0.294 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 126.41 54.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.653 ' HB2' HG23 ' A' ' 86' ' ' ILE . 5.9 mt-30 -134.1 143.39 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.44 137.07 41.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 84' ' ' ILE . 3.8 mt -105.04 133.74 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.61 107.82 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.194 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.804 HD13 HG13 ' A' ' 84' ' ' ILE . 5.4 mp -120.53 138.78 53.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.507 HG12 ' H ' ' A' ' 35' ' ' LEU . 2.3 t -102.98 -137.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.507 ' H ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -140.16 131.54 26.8 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.613 0.244 . . . . 0.0 110.794 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.22 -66.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.659 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.54 -135.72 4.39 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 63.29 130.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.39 -27.39 22.8 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.778 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.745 ' HB3' HD13 ' A' ' 82' ' ' LEU . 7.3 m120 -56.99 -49.83 74.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -46.54 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.013 0.435 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.832 ' HA ' HD12 ' A' ' 50' ' ' ILE . 8.2 tttp -61.82 -27.94 69.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.201 0.524 . . . . 0.0 110.391 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.63 -40.76 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.687 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.905 HG11 ' HB3' ' A' ' 73' ' ' TYR . 24.5 t -71.28 -34.62 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 47' ' ' LYS . 45.9 mt -61.16 -40.35 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -73.53 -45.2 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.438 ' CG ' HD13 ' A' ' 104' ' ' ILE . 27.1 m120 -71.67 -56.52 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.68 -28.91 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -79.28 -40.34 30.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -60.54 -41.87 95.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.481 ' OD1' HD11 ' A' ' 97' ' ' LEU . 29.4 m-20 -69.58 -48.56 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.82 HD12 ' OE2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -52.24 -57.55 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -28.36 69.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.58 72.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.554 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 24.3 m-85 -76.73 -42.76 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.329 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 7.1 t80 -64.68 -28.13 69.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.61 -23.83 24.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.725 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -41.28 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -108.92 9.6 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 39.8 32.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 111.605 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -141.89 -44.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.03 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.82 ' OE2' HD12 ' A' ' 57' ' ' LEU . 8.4 tt0 71.47 105.66 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.59 174.98 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.789 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 60.2 170.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -145.1 158.58 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.054 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.517 HG23 ' HB ' ' A' ' 86' ' ' ILE . 17.1 mt -131.97 146.39 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.359 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.32 168.19 20.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.905 ' HB3' HG11 ' A' ' 49' ' ' VAL . 5.9 p90 -158.72 152.81 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.48 168.99 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.164 0.507 . . . . 0.0 111.034 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 76' ' ' SER . 4.3 mt -128.53 158.41 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 75' ' ' ILE . 83.8 p -165.7 -172.22 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 111.064 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 p 62.04 150.76 0.1 Allowed Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.36 -19.28 22.35 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.064 2.509 . . . . 0.0 112.955 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 79' ' ' ILE . 21.1 mm -89.92 13.25 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.961 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.7 85.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.52 127.99 55.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.408 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' A' ' 45' ' ' ASN . 16.9 tp -92.47 95.31 9.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.3 m -97.75 102.08 13.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.399 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -86.81 138.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.799 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 77.3 m-85 -129.25 94.26 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.839 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' A' ' 29' ' ' GLN . 9.5 tt -95.36 105.7 21.69 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.555 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 3.7 Cg_exo -76.28 111.28 3.23 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.588 2.192 . . . . 0.0 111.779 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -153.42 140.32 19.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.153 0.501 . . . . 0.0 111.149 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mp -96.99 -13.36 22.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.328 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 11.5 t80 63.72 128.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.071 0.462 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.59 -54.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.404 ' O ' ' CB ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -74.14 118.52 17.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.953 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 92' ' ' MET . 0.1 OUTLIER 79.58 -13.65 0.94 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.899 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 33.2 m-80 52.11 52.74 13.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.868 0.366 . . . . 0.0 111.202 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -174.89 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 57.44 23.59 9.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.554 HD21 ' CZ ' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 41.68 46.49 3.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.686 179.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -23.21 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.58 ' HA ' HD21 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -58.31 -20.5 43.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -78.42 -50.6 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -54.61 -47.83 72.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.986 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 99' ' ' LYS . 4.0 pp -70.83 -23.95 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.73 -40.38 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.201 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.438 HD13 ' CG ' ' A' ' 52' ' ' ASN . 7.4 pt -67.28 -32.53 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.609 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.7 pp -80.69 -39.74 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.8 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.6 t-80 -73.68 -50.81 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.27 -51.69 67.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -57.23 -31.57 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.424 HD22 HG23 ' A' ' 34' ' ' VAL . 8.4 tp -100.31 -0.4 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.709 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.99 -73.09 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 122.229 -0.294 . . . . 0.0 111.332 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.993 0.425 . . . . 0.0 111.17 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.711 0.291 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.4 138.63 51.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -131.38 133.87 45.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.704 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.643 ' HB2' HG23 ' A' ' 86' ' ' ILE . 49.2 mm-40 -137.69 143.58 41.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.38 137.24 42.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.296 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 105' ' ' LEU . 2.1 mp -109.85 111.99 23.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -74.26 92.57 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.663 HD23 HD21 ' A' ' 45' ' ' ASN . 6.5 mp -78.8 166.1 22.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.708 ' O ' HD13 ' A' ' 109' ' ' LEU . 27.2 t -154.72 122.28 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.737 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.814 HD13 ' OD1' ' A' ' 45' ' ' ASN . 1.8 tp -120.85 -166.01 1.28 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.77 161.0 19.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.972 0.415 . . . . 0.0 110.787 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -102.67 33.49 6.52 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.9 31.96 3.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.003 0.43 . . . . 0.0 110.523 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.7 mt -127.37 146.54 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -143.81 35.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.623 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.7 tp -176.51 99.72 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 45.9 m80 63.13 126.03 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.954 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.2 121.0 40.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -20.14 65.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.814 ' OD1' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -54.21 -59.29 4.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.151 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -57.03 -40.11 76.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.8 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -66.8 -25.77 66.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -72.35 -37.69 68.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.027 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.782 HG11 ' HB3' ' A' ' 73' ' ' TYR . 26.6 t -71.13 -43.87 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.238 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.691 HD11 ' CE1' ' A' ' 73' ' ' TYR . 34.7 mm -63.69 -37.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -71.3 -33.01 69.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.831 ' ND2' HD13 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -88.69 -61.01 1.8 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.045 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.24 -32.73 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -83.76 -51.8 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -58.35 -39.01 78.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.551 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 60.7 m-20 -67.23 -47.79 69.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.424 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.02 -64.22 0.88 Allowed 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.231 0.538 . . . . 0.0 110.592 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -55.82 -29.28 59.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.916 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -36.8 71.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 0.0 110.522 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.732 ' CE1' HD22 ' A' ' 97' ' ' LEU . 6.7 m-85 -79.06 -32.96 45.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.3 t80 -77.72 -29.55 51.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.268 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -40.98 13.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -81.05 -52.67 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.58 9.94 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.485 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.4 t80 68.11 -64.7 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.193 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -144.21 119.8 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.07 -166.3 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -139.86 93.85 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.958 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.456 ' OD2' HD12 ' A' ' 97' ' ' LEU . 8.1 t70 -177.8 125.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.888 0.375 . . . . 0.0 111.209 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -113.16 154.13 27.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.298 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.401 HG12 ' CG1' ' A' ' 86' ' ' ILE . 12.2 mt -132.75 139.32 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.353 0.597 . . . . 0.0 112.155 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.49 172.8 12.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.238 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.866 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.3 p90 -159.99 165.49 31.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.046 0.45 . . . . 0.0 111.496 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -159.45 159.01 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.483 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.8 mp -104.02 126.2 58.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.914 0.388 . . . . 0.0 111.341 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.36 84.67 2.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.454 0.645 . . . . 0.0 110.547 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.05 130.28 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.595 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.94 -17.69 46.48 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.606 2.204 . . . . 0.0 112.46 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 79' ' ' ILE . 1.6 mp -114.83 32.75 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.814 0.34 . . . . 0.0 111.399 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -139.3 -108.96 0.16 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.682 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -137.06 168.21 20.03 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.969 0.414 . . . . 0.0 111.227 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 33' ' ' LEU . 4.6 mm? -95.5 142.28 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.366 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.32 104.2 11.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 73' ' ' TYR . 3.5 mm -97.41 132.28 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.198 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.473 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 26.7 m-85 -128.73 92.9 3.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.258 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -91.52 104.88 11.12 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.699 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -85.09 116.0 1.75 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.969 2.446 . . . . 0.0 112.023 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.4 t -133.3 142.99 48.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.89 0.376 . . . . 0.0 111.255 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.5 tp -75.96 -30.44 58.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.747 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.5 t80 63.11 131.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 168.34 -41.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.663 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.7 ttt -131.97 34.83 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.786 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.544 ' ND2' HD11 ' A' ' 97' ' ' LEU . 20.1 m120 -105.17 -36.23 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 57.51 26.82 13.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 57.72 54.66 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' C ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -128.63 24.23 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 ' CE1' ' A' ' 60' ' ' TYR . 9.6 mt -117.41 -25.4 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.24 -12.48 60.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.381 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.549 ' O ' HD12 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -55.55 -40.0 71.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.733 0.302 . . . . 0.0 111.134 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.86 -38.5 32.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.38 88.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.976 0.417 . . . . 0.0 110.61 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -25.77 61.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.961 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 99' ' ' LYS . 3.5 mt -83.16 -45.35 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.831 HD13 ' ND2' ' A' ' 52' ' ' ASN . 0.8 OUTLIER -59.57 -45.34 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.329 -179.649 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -72.36 -44.18 62.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.755 ' N ' HD12 ' A' ' 105' ' ' LEU . 45.4 t-80 -59.48 -57.44 12.97 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.752 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -55.24 -32.27 62.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 110.779 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -59.66 -44.51 93.55 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.749 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.708 HD13 ' O ' ' A' ' 34' ' ' VAL . 3.0 tp -99.8 -0.97 38.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.529 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -78.37 -72.16 0.39 Allowed 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.375 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -87.17 -64.76 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.451 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.1 OUTLIER 172.59 -63.43 0.01 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.828 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.7 p 44.31 42.79 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.451 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.323 -0.563 0 CA-C-O 120.863 0.364 . . . . 0.0 110.832 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.828 0.347 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.6 m -125.49 127.52 46.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -102.26 139.45 37.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.154 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.44 ' NE2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -134.72 139.27 45.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.976 0.417 . . . . 0.0 110.917 179.617 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -135.41 135.7 40.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.068 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.547 HD13 ' HB1' ' A' ' 101' ' ' ALA . 1.2 mp -111.96 144.13 41.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.64 102.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.519 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.857 HD23 ' HG ' ' A' ' 82' ' ' LEU . 5.1 tp -88.24 144.91 26.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.801 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.81 ' HA ' HD22 ' A' ' 109' ' ' LEU . 18.0 t 69.16 129.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.054 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -39.48 2.98 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.23 -62.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.22 -51.8 0.62 Allowed Glycine 0 C--N 1.322 -0.227 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.219 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 46.01 -169.4 0.01 OUTLIER 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.012 0.434 . . . . 0.0 111.207 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.14 171.67 7.66 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 121.068 0.461 . . . . 0.0 110.464 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.09 125.67 52.7 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.053 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 41' ' ' LEU . 4.0 mm? -98.73 -75.33 0.56 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.832 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -118.43 22.14 12.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.761 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 m 54.1 34.55 20.25 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.094 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -57.48 -23.96 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 111.261 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' ND2' HD21 ' A' ' 33' ' ' LEU . 2.0 m120 -55.93 -51.6 67.1 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.05 -30.8 68.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.851 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.501 ' HA ' HG22 ' A' ' 50' ' ' ILE . 3.3 mmmp? -76.26 -24.68 54.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.737 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -73.06 -36.65 66.91 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 84' ' ' ILE . 21.3 t -75.25 -50.09 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.501 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.0 tt -56.58 -28.75 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -75.38 -46.14 34.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.075 0.464 . . . . 0.0 110.678 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' ND2' HD13 ' A' ' 104' ' ' ILE . 1.7 m-20 -73.03 -47.54 44.09 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.26 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.006 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -74.33 -45.14 49.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.758 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -57.77 -49.73 75.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.703 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 76.3 m-20 -57.22 -56.81 16.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.757 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.641 HD21 ' HA ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -49.4 -55.29 13.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 110.797 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -62.84 -29.53 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.731 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.55 -37.8 68.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.629 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 19.5 m-85 -79.24 -41.91 27.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.523 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.2 t80 -65.84 -25.8 67.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.75 -23.37 24.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.325 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.67 -43.21 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -109.09 9.6 26.22 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER 42.64 31.08 0.27 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.782 0.325 . . . . 0.0 111.489 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.63 -39.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.298 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.604 ' CG ' HD12 ' A' ' 57' ' ' LEU . 12.8 tt0 75.76 81.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -93.14 164.85 13.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 61.46 154.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.641 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -133.83 156.86 47.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.692 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.576 HD11 HD11 ' A' ' 97' ' ' LEU . 33.8 mt -134.26 137.07 52.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.271 0.558 . . . . 0.0 111.76 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.24 164.09 30.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.19 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.866 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.6 p90 -160.06 158.54 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.0 111.549 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -150.57 168.66 23.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.327 0.584 . . . . 0.0 110.546 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -127.8 159.17 38.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.365 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.5 m -134.88 118.21 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.148 0.499 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.416 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -87.94 -52.92 0.38 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.612 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 77' ' ' THR . 59.3 Cg_exo -50.8 -28.17 22.45 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.662 2.241 . . . . 0.0 112.572 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.9 mt -106.09 -24.0 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.364 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 68.47 42.28 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.765 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -132.82 148.3 52.31 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.857 ' HG ' HD23 ' A' ' 33' ' ' LEU . 4.3 mm? -92.26 115.18 27.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.698 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.5 t -103.12 114.51 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.153 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.866 HD13 ' HB2' ' A' ' 73' ' ' TYR . 3.3 mm -108.84 131.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.688 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -129.14 92.94 3.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.95 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -98.19 107.11 39.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.471 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 91.9 Cg_endo -85.14 124.27 2.84 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.525 2.15 . . . . 0.0 112.551 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.451 HG21 ' CE1' ' A' ' 90' ' ' PHE . 15.2 t -146.78 -162.84 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.162 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.23 -30.99 5.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.263 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.451 ' CE1' HG21 ' A' ' 88' ' ' THR . 22.8 m-85 58.92 26.48 15.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.953 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -149.68 20.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.64 -54.56 0.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.361 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -88.54 -3.88 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 65.97 59.27 0.71 Allowed 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.83 41.34 2.49 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.567 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -93.39 52.16 1.71 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.576 HD11 HD11 ' A' ' 71' ' ' ILE . 4.0 tt -154.01 -48.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 31' ' ' LEU . 1.3 mm? -59.11 -30.2 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -59.79 -30.85 69.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.87 -50.57 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.76 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.547 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -60.9 -36.85 80.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.954 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.541 ' CD2' HD23 ' A' ' 31' ' ' LEU . 44.5 mt -74.7 -32.4 62.15 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.035 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.9 mt -77.26 -36.99 53.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.891 0.377 . . . . 0.0 111.521 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.09 -46.34 78.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.524 -179.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -66.65 -42.81 86.05 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.732 0.301 . . . . 0.0 111.044 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.834 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -62.94 -53.2 57.76 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-O 120.882 0.373 . . . . 0.0 110.61 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.24 -15.16 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.221 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.22 -66.46 0.87 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.991 0.424 . . . . 0.0 111.612 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.81 HD22 ' HA ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -100.34 -48.58 4.53 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.737 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.409 ' CD2' ' ND1' ' A' ' 106' ' ' HIS . 77.9 m-70 -59.47 -17.53 32.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.757 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -51.46 -64.4 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.773 0.321 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.457 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -177.82 -66.99 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.121 0.486 . . . . 0.0 111.011 179.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.608 ' O ' HG22 ' A' ' 113' ' ' VAL . 13.0 p 43.72 33.83 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-O 121.28 0.562 . . . . 0.0 111.612 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 -179.642 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.757 0.313 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 t 70.96 -66.01 0.31 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.777 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -115.3 124.62 51.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.661 ' HB3' HG23 ' A' ' 86' ' ' ILE . 2.3 tp60 -128.23 141.53 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -135.51 137.27 41.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.076 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.67 HD12 HD23 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -109.02 128.58 55.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.851 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.589 ' O ' HD23 ' A' ' 33' ' ' LEU . 2.5 pp -73.14 130.08 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.936 HD22 ' HB2' ' A' ' 105' ' ' LEU . 23.0 mt -137.61 133.15 34.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 111.057 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 t -155.63 122.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.12 0.486 . . . . 0.0 111.225 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.541 ' HA ' HD13 ' A' ' 109' ' ' LEU . 1.6 tp -104.03 161.6 13.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.606 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 2.2 tptt -105.97 154.88 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.997 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.65 168.31 14.44 Favored Glycine 0 CA--C 1.516 0.109 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.456 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -105.47 -54.05 2.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.012 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.805 HD23 HD13 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -126.57 113.72 17.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.737 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -121.63 -53.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.805 HD13 HD23 ' A' ' 39' ' ' LEU . 6.7 mp 63.88 -78.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.025 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -72.68 76.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -59.18 109.95 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -81.84 -16.9 49.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.537 HD21 HD22 ' A' ' 35' ' ' LEU . 1.8 m120 -54.23 -38.99 66.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.824 0.345 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -38.15 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -73.26 -23.42 60.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' OD1' HG23 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -74.15 -38.39 63.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.803 HG11 ' HB3' ' A' ' 73' ' ' TYR . 13.0 t -72.73 -47.35 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.841 ' O ' HD13 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.14 -32.32 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -75.88 -44.35 41.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.671 ' CB ' HD11 ' A' ' 104' ' ' ILE . 6.7 m120 -72.88 -52.5 14.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.05 -28.1 62.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.069 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -82.59 -45.73 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.807 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -60.16 -35.54 75.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.704 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 82.0 m-20 -73.9 -48.9 27.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -50.19 -55.1 16.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.838 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.54 -30.22 71.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -37.41 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.673 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.0 m-85 -78.31 -46.23 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.493 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -64.81 -24.12 67.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -87.83 -21.34 25.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.81 -42.8 7.79 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.152 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.63 9.59 11.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.506 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.2 t80 58.09 15.72 3.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.462 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER 162.2 146.04 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.517 0.327 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.21 155.93 25.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -98.58 81.74 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -169.84 117.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -121.54 155.7 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.711 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 97' ' ' LEU . 3.0 mp -135.48 142.55 39.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.153 0.502 . . . . 0.0 111.502 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.26 148.32 44.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.803 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.803 ' HB3' HG11 ' A' ' 49' ' ' VAL . 19.5 p90 -138.82 152.02 47.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.028 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.63 160.9 38.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 tt -131.1 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.28 -172.35 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.996 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 78' ' ' PRO . 1.4 m 65.15 138.92 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' A' ' 77' ' ' THR . 73.3 Cg_endo -75.7 -7.52 18.58 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.465 2.11 . . . . 0.0 112.795 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.599 ' O ' HG22 ' A' ' 79' ' ' ILE . 3.0 mt -96.82 29.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 111.229 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 53.91 67.38 1.02 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.112 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -104.12 120.0 40.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.693 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 33' ' ' LEU . 19.9 tp -102.04 117.84 35.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 0.0 111.13 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.83 110.37 15.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.755 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.781 HD11 ' CG1' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -92.64 137.0 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.425 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 49.2 m-85 -125.1 96.43 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.356 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.776 HD11 HD13 ' A' ' 97' ' ' LEU . 11.7 tt -96.38 105.95 25.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.264 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.2 Cg_exo -74.79 119.75 5.83 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.687 2.258 . . . . 0.0 112.177 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 t -157.25 132.16 8.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.96 0.409 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.6 mp -92.89 -14.71 27.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.263 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.7 t80 63.83 133.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.172 0.51 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 177.8 -54.45 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 4.0 ttp -126.75 85.14 2.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.594 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -175.92 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 66.06 39.0 4.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.2 mtt 59.18 101.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.008 0.432 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -164.88 62.3 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.55 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.776 HD13 HD11 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -156.69 -45.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.003 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.67 HD23 HD12 ' A' ' 31' ' ' LEU . 3.2 mp -56.18 -33.0 64.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 111.105 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -58.49 -29.61 66.36 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.009 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -76.16 -59.05 2.93 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.067 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -50.51 -49.84 54.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.842 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.585 ' HG ' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -57.8 -34.57 69.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.29 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.37 -29.68 66.41 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.564 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.671 HD11 ' CB ' ' A' ' 52' ' ' ASN . 84.8 mt -63.69 -58.3 8.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.936 ' HB2' HD22 ' A' ' 33' ' ' LEU . 3.3 tm? -66.28 -29.36 69.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -65.94 0.6 Allowed 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -58.39 -29.9 66.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.808 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.523 ' C ' HD11 ' A' ' 35' ' ' LEU . 13.9 t0 -71.3 -34.73 70.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 35' ' ' LEU . 55.1 tp -83.84 -33.02 24.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.78 -20.69 58.26 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.806 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -80.76 1.42 30.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.501 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 36' ' ' LYS . 16.6 m-85 -121.81 -46.13 2.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.372 . . . . 0.0 110.806 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 113' ' ' VAL . 8.4 p -73.9 64.05 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 121.338 0.59 . . . . 0.0 110.867 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.822 0.344 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.76 -165.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.743 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -175.8 165.59 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 86' ' ' ILE . 3.1 mt-30 -149.77 143.47 25.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.403 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -120.75 137.25 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.658 -179.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mp -106.16 149.09 27.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.795 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -106.25 122.4 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.171 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 HG13 ' A' ' 84' ' ' ILE . 1.5 mp -124.52 149.91 46.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.8 t -156.02 121.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.912 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -62.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.99 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -148.98 -71.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.802 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.54 -98.75 0.13 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -116.61 144.49 44.33 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.8 86.38 0.09 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.527 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -160.87 101.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER 66.06 -75.48 0.05 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.882 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 61.65 32.44 18.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 m -155.02 -46.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -65.37 -28.31 69.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -57.03 -60.02 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 ptm -57.45 -37.96 73.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.55 . . . . 0.0 110.829 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -27.07 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.689 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.7 HD21 HG21 ' A' ' 104' ' ' ILE . 1.5 t30 -68.75 -43.47 75.78 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.289 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.831 HG11 ' HB3' ' A' ' 73' ' ' TYR . 28.3 t -65.88 -58.94 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.0 tt -48.08 -31.23 2.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -72.58 -42.03 65.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.29 -55.4 4.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.01 -31.99 14.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 57' ' ' LEU . 11.8 ttmt -81.44 -42.42 20.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -35.81 75.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.381 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 57.2 m-80 -72.48 -44.57 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.476 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 54' ' ' LYS . 16.0 mt -52.84 -60.09 3.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.141 0.496 . . . . 0.0 110.767 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.76 -31.23 69.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -56.26 -34.48 66.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.04 0.447 . . . . 0.0 110.424 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.588 ' HE1' HD11 ' A' ' 97' ' ' LEU . 13.5 m-85 -77.09 -44.49 30.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.561 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 8.4 t80 -71.47 -20.68 62.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.09 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -87.62 -22.24 24.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.025 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -97.9 -43.31 7.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -119.54 9.54 11.54 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 3.5 t80 40.97 38.93 0.74 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.785 0.326 . . . . 0.0 111.759 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -135.7 -47.21 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.953 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 60' ' ' TYR . 2.1 tt0 63.78 98.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.006 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -123.22 44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.694 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.72 130.28 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.27 139.91 48.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.392 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.446 HG12 HD12 ' A' ' 86' ' ' ILE . 3.1 mt -132.22 136.21 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.131 0.491 . . . . 0.0 111.88 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 t -138.39 170.19 16.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.304 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.831 ' HB3' HG11 ' A' ' 49' ' ' VAL . 6.2 p90 -155.28 152.83 29.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 111.356 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -166.01 168.85 15.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.788 HG22 HD13 ' A' ' 82' ' ' LEU . 1.2 pt -114.06 174.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.44 172.18 2.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.592 ' OG1' HG22 ' A' ' 79' ' ' ILE . 3.0 p 62.12 146.27 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.411 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.48 -13.36 27.63 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.439 2.092 . . . . 0.0 112.224 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.592 HG22 ' OG1' ' A' ' 77' ' ' THR . 7.0 tp -76.6 -3.25 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.727 0.299 . . . . 0.0 111.389 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 56.6 t30 73.46 50.23 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.004 0.43 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.03 133.66 33.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.656 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.788 HD13 HG22 ' A' ' 75' ' ' ILE . 3.9 mm? -92.35 98.93 11.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.55 97.84 9.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.75 HD13 ' CB ' ' A' ' 73' ' ' TYR . 1.5 mm -83.39 132.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.197 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.404 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -123.33 101.79 7.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.944 -179.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.446 HD12 HG12 ' A' ' 71' ' ' ILE . 5.5 tt -104.14 102.02 29.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 6.0 Cg_exo -78.18 115.54 3.75 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.915 2.41 . . . . 0.0 111.966 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -159.92 -172.32 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tp -122.56 98.4 5.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.792 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.493 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 35.3 p90 -60.27 86.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.188 0.518 . . . . 0.0 110.779 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -165.38 -64.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -52.53 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.568 ' HB3' HD13 ' A' ' 97' ' ' LEU . 48.5 m-20 -104.0 42.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -91.13 34.71 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.34 -36.3 4.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.672 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -169.69 98.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 111.111 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 96' ' ' ASP . 1.4 mp -144.08 -66.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -21.65 65.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.851 ' O ' HD23 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -54.15 -27.91 36.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.188 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -79.42 -54.15 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.968 0.413 . . . . 0.0 110.439 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.17 -32.57 68.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.821 HD23 HD21 ' A' ' 105' ' ' LEU . 5.4 mt -73.79 -33.07 64.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.851 HD23 ' O ' ' A' ' 99' ' ' LYS . 2.5 mm? -70.36 -26.74 63.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.7 HG21 HD21 ' A' ' 48' ' ' ASN . 31.5 mm -80.5 -52.95 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.275 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.821 HD21 HD23 ' A' ' 102' ' ' LEU . 4.0 pp -56.87 -43.9 81.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.725 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -67.43 -37.64 83.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.557 179.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.52 -36.33 83.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.615 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.96 -41.46 91.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -30.4 56.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -79.2 -6.9 57.66 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.603 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.0 -26.12 3.99 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.642 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -131.29 -85.31 0.5 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.448 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 113' ' ' VAL . 9.4 p 41.05 45.92 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 121.153 0.501 . . . . 0.0 111.637 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 -179.741 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.549 ' HA ' HD13 ' A' ' 89' ' ' LEU . 4.4 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.615 0.245 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.8 167.83 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mttm -138.06 119.08 14.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.69 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' HB2' HG23 ' A' ' 86' ' ' ILE . 6.7 mm100 -115.93 143.22 45.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.072 0.463 . . . . 0.0 110.766 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -135.36 137.25 42.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.154 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.744 HD23 ' HG ' ' A' ' 102' ' ' LEU . 2.6 mp -117.03 115.79 26.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -82.06 125.02 39.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.474 HD11 HD23 ' A' ' 82' ' ' LEU . 1.7 pp -137.14 179.51 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.0 t -155.12 120.65 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER -113.97 98.12 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.924 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.9 OUTLIER -140.0 147.32 40.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 110.8 -32.63 6.42 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.641 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.34 -66.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.787 0.327 . . . . 0.0 110.755 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.15 155.07 31.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.775 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 p30 -98.86 31.68 2.88 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.629 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -147.74 119.02 7.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.812 0.339 . . . . 0.0 111.016 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 62.93 120.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -68.09 124.69 24.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -82.05 -23.51 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.574 ' N ' HD22 ' A' ' 35' ' ' LEU . 48.8 t30 -53.49 -34.96 59.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.2 ttt -50.71 -65.43 0.56 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.812 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -56.6 -24.29 46.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -47.6 71.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 73' ' ' TYR . 19.7 t -64.5 -35.81 75.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.2 mt -62.0 -42.93 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -74.13 -41.47 61.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -73.17 -57.85 3.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -51.5 -30.84 21.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -40.2 53.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -32.95 72.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.348 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 60.1 m-80 -71.73 -53.87 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.436 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -48.02 -57.58 5.59 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.597 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.84 -27.77 63.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.615 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -35.77 75.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.597 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.635 ' OH ' HD12 ' A' ' 97' ' ' LEU . 37.5 m-85 -81.34 -29.43 34.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.664 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.6 t80 -80.07 -29.93 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.35 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -27.71 22.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.578 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.87 -46.77 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.684 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' LYS . 7.4 m170 -107.49 9.78 29.51 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.1 t80 64.05 -66.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.431 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -65.17 157.14 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.22 -169.19 2.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.541 ' HZ ' HD11 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -144.78 -159.52 1.01 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.498 ' HB2' HG23 ' A' ' 88' ' ' THR . 1.3 t0 -58.32 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.337 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -116.48 167.15 11.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.006 0.431 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.541 HD11 ' HZ ' ' A' ' 68' ' ' PHE . 19.1 mt -128.78 148.58 33.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.071 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.19 165.25 27.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.23 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.871 ' HB3' HG11 ' A' ' 49' ' ' VAL . 6.7 p90 -158.33 159.45 35.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.627 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -161.97 157.01 23.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.492 . . . . 0.0 111.363 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.716 HD13 ' H ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -117.15 140.06 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 m -115.53 91.5 3.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.734 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 62.68 144.11 0.07 OUTLIER Pre-proline 0 C--O 1.236 0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.734 ' HD2' HG22 ' A' ' 77' ' ' THR . 74.2 Cg_endo -76.09 -27.22 8.49 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.276 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 79' ' ' ILE . 22.1 mm -110.24 37.79 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.704 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -138.98 -109.89 0.16 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.564 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.611 ' O ' HD12 ' A' ' 82' ' ' LEU . 46.2 m-85 -137.07 169.81 17.16 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.902 0.382 . . . . 0.0 110.983 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 81' ' ' PHE . 6.0 mp -125.78 142.41 51.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.248 179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -129.87 141.61 50.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.032 0.444 . . . . 0.0 111.865 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.456 HD13 ' HB3' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -120.16 138.32 51.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.395 179.46 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -129.44 106.27 8.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.651 HG21 HD21 ' A' ' 98' ' ' LEU . 7.2 tt -106.83 101.06 35.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.448 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 10.3 Cg_exo -70.83 106.47 1.86 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.517 2.145 . . . . 0.0 111.763 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.498 HG23 ' HB2' ' A' ' 69' ' ' ASP . 3.1 m -159.93 171.36 19.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.975 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 26' ' ' THR . 3.1 tp -116.39 -5.77 11.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.45 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.783 ' HB3' HD22 ' A' ' 97' ' ' LEU . 19.1 p90 44.22 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 111.398 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -155.6 -43.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.041 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -71.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.058 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -23.75 26.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.923 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.1 p30 42.75 33.21 0.45 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.726 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -83.27 135.69 34.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 90' ' ' PHE . 2.8 tp -169.2 -72.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.806 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.651 HD21 HG21 ' A' ' 86' ' ' ILE . 4.4 mt -88.02 -17.6 30.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.204 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -24.61 16.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.368 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -45.28 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.761 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -65.07 -32.37 74.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.024 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.744 ' HG ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -79.14 -27.42 42.79 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.102 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.54 -28.95 62.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 105' ' ' LEU . 7.5 tp -84.76 -41.62 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.243 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.514 ' C ' HD12 ' A' ' 105' ' ' LEU . 3.8 pp -74.55 -33.75 62.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.045 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' N ' HD12 ' A' ' 105' ' ' LEU . 20.5 t-80 -77.1 -48.35 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.938 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -57.93 -38.81 76.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.61 -30.56 64.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 tt -95.15 -0.41 53.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -81.14 -30.8 34.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -60.12 -50.59 73.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.4 OUTLIER 177.58 -69.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.082 0.467 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.591 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.4 p 43.61 38.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.548 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.332 -179.732 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.493 ' HA ' HD13 ' A' ' 89' ' ' LEU . 3.1 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.85 0.357 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.9 m -116.62 109.43 17.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -93.23 138.61 31.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.782 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.28 136.05 26.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.771 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -135.62 126.68 27.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.184 -179.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -101.91 149.01 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.731 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.527 HG23 ' CE2' ' A' ' 81' ' ' PHE . 27.7 mm -110.88 91.04 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.237 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.689 HD22 ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -78.57 141.99 37.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.058 0.456 . . . . 0.0 110.682 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' H ' HD23 ' A' ' 105' ' ' LEU . 22.1 t 65.13 132.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 121.313 0.578 . . . . 0.0 110.946 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.81 -65.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.231 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -35.95 6.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.76 -76.32 0.41 Allowed Glycine 0 C--O 1.228 -0.245 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.097 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.49 -73.72 0.07 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.701 0.286 . . . . 0.0 111.129 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.58 119.19 30.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.104 0.478 . . . . 0.0 110.892 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -143.35 38.25 1.39 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.063 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tt -111.93 -32.66 6.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -90.46 -35.37 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.115 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.0 t 60.52 41.57 15.48 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -78.09 -4.52 47.77 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.017 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -56.14 -65.46 0.6 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.77 0.319 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -44.75 67.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.768 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.67 -27.92 69.57 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.67 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -66.17 -41.14 90.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 73' ' ' TYR . 22.0 t -67.95 -43.56 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm -57.96 -36.64 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.063 0.458 . . . . 0.0 110.538 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -76.04 -52.18 10.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -66.53 -54.17 26.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.77 56.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.812 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -43.63 22.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.634 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -61.35 -31.08 70.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.314 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.407 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 49.4 m-80 -73.32 -49.0 29.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.588 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -50.27 -59.38 4.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.73 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.03 -26.47 66.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.659 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -36.44 75.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.5 m-85 -80.92 -34.86 33.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 2.9 t80 -77.35 -25.24 50.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.21 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -87.39 -33.82 18.99 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.298 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -92.84 -50.88 5.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -91.19 9.75 29.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.588 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.7 OUTLIER 46.97 29.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.218 179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.6 -175.59 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.788 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.02 143.18 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -151.64 35.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -166.67 158.74 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -128.97 147.7 50.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 86' ' ' ILE . 16.1 mt -130.16 135.09 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 0.0 111.441 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.34 172.98 12.09 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.903 ' HB2' HD13 ' A' ' 84' ' ' ILE . 4.7 p90 -159.73 158.34 31.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.158 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.36 163.71 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.288 0.565 . . . . 0.0 110.925 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.848 HD13 ' N ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -143.61 141.36 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.68 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.848 ' N ' HD13 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -161.39 -164.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.012 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.437 HG23 ' C ' ' A' ' 76' ' ' SER . 1.3 p 67.49 141.49 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.808 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.6 -12.46 24.64 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.482 2.121 . . . . 0.0 112.834 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.89 19.43 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.271 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 56.21 87.75 0.05 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.575 0.226 . . . . 0.0 111.083 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.527 ' CE2' HG23 ' A' ' 32' ' ' ILE . 4.3 t80 -125.47 122.67 37.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 33' ' ' LEU . 4.0 mm? -92.33 111.01 22.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.8 m -103.58 97.36 7.41 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.889 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.903 HD13 ' HB2' ' A' ' 73' ' ' TYR . 8.7 mm -84.05 129.5 37.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.018 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 30' ' ' GLU . 25.8 m-85 -129.34 96.56 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.735 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.576 HD13 HD21 ' A' ' 98' ' ' LEU . 4.7 tt -97.08 104.41 18.98 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.025 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 10.7 Cg_endo -90.23 118.69 0.72 Allowed 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 122.983 2.455 . . . . 0.0 112.562 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 t -139.98 163.81 31.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 26' ' ' THR . 4.3 mm? -90.17 -34.92 15.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.739 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' A' ' 89' ' ' LEU . 31.5 t80 52.78 114.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.454 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.23 -77.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.803 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -20.71 63.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.129 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -49.67 -43.52 47.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.819 0.342 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 48.47 27.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.27 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtt -171.96 34.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.983 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.46 111.23 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.71 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -120.49 86.26 2.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.139 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.576 HD21 HD13 ' A' ' 86' ' ' ILE . 1.1 mt -73.71 -10.18 59.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.653 ' O ' HD12 ' A' ' 103' ' ' LEU . 12.9 mmtt -56.21 -19.94 15.97 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.672 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -70.86 -50.19 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.093 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.904 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -61.17 -48.54 81.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.589 179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.522 HD12 HD21 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -60.73 -33.92 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.656 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 99' ' ' LYS . 1.7 mt -70.46 -38.72 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 101' ' ' ALA . 11.0 mt -59.15 -50.54 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.822 HD13 ' N ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER -65.04 -50.47 66.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.835 0.35 . . . . 0.0 110.39 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.822 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -57.56 -58.39 8.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 111.119 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -21.23 53.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.38 -38.26 71.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.662 0.268 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.407 HD23 HG11 ' A' ' 113' ' ' VAL . 8.0 mt -99.92 -41.33 7.26 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.135 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.36 -27.81 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.283 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.18 -64.48 0.93 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.681 0.276 . . . . 0.0 111.017 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.43 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.4 OUTLIER 176.73 -59.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 110.707 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.603 ' O ' HG22 ' A' ' 113' ' ' VAL . 13.8 p 44.32 42.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.368 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.589 -179.732 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.73 0.3 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.587 ' HA ' HD13 ' A' ' 89' ' ' LEU . 0.9 OUTLIER 70.92 -64.3 0.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.804 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.6 133.78 55.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -142.68 142.78 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.959 0.409 . . . . 0.0 110.865 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -135.39 126.67 28.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.206 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mp -111.95 132.07 54.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pp -89.85 148.04 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.781 HD11 HG12 ' A' ' 84' ' ' ILE . 0.1 OUTLIER -139.88 157.02 46.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 36.3 t -154.77 121.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.15 -179.98 7.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.192 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -73.17 -44.78 59.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.006 0.431 . . . . 0.0 110.998 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.25 31.43 2.22 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.72 114.0 17.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 110.735 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.18 172.42 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.75 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -94.94 79.86 3.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -150.42 125.76 10.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 32.46 4.72 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.943 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.31 -35.62 15.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -62.39 -34.77 77.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.07 -57.76 5.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.3 mtp -59.84 -47.96 83.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HA ' HG22 ' A' ' 50' ' ' ILE . 5.3 tptt -57.85 -29.18 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -70.43 -39.22 74.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.689 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.891 HG11 ' HB3' ' A' ' 73' ' ' TYR . 16.9 t -71.51 -54.7 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.419 HG22 ' HA ' ' A' ' 47' ' ' LYS . 5.2 tp -52.52 -30.25 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.88 -40.37 60.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.794 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -80.92 -53.86 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 71' ' ' ILE . . . -55.04 -28.46 52.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.334 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -81.74 -40.89 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.779 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -37.34 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.68 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 80.8 m-20 -72.89 -47.25 47.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.579 HD23 HD12 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -49.17 -56.91 7.72 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.974 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.5 -27.12 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -58.44 -36.53 73.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.4 m-85 -82.02 -34.44 29.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -69.28 -29.69 67.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -25.49 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.5 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.28 -44.16 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -102.14 9.6 40.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 43.15 31.3 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.474 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -151.58 174.94 12.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.018 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 1.1 tt0 -139.65 127.03 21.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -146.62 -46.98 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.563 ' OD2' HD13 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -70.19 108.23 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 7.7 mttp -103.96 158.48 16.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.579 HD12 HD23 ' A' ' 57' ' ' LEU . 11.1 mt -133.76 146.02 32.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.27 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.05 120.39 15.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.302 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.891 ' HB3' HG11 ' A' ' 49' ' ' VAL . 36.1 p90 -120.86 146.68 46.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 111.289 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -154.89 152.6 29.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.039 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.827 HG22 ' CD1' ' A' ' 82' ' ' LEU . 3.0 pt -102.77 153.53 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 m -133.47 97.68 4.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.983 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.65 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 11.8 t -74.37 -30.4 1.08 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.342 -0.39 . . . . 0.0 112.007 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 77' ' ' THR . 37.4 Cg_exo -56.96 -34.45 97.43 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.038 1.825 . . . . 0.0 112.245 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -112.29 -10.98 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.384 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.9 t30 66.76 41.34 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -136.52 155.31 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.827 ' CD1' HG22 ' A' ' 75' ' ' ILE . 3.6 mm? -105.2 128.18 53.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.443 ' C ' HD13 ' A' ' 84' ' ' ILE . 4.6 t -121.43 109.83 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.781 HG12 HD11 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -98.93 93.26 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.476 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.8 t80 -78.83 84.63 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.039 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.599 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -85.8 106.2 9.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.389 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.8 Cg_exo -78.7 113.88 3.36 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.831 2.354 . . . . 0.0 112.116 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -150.79 139.16 20.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.985 0.422 . . . . 0.0 111.273 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.619 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -95.42 -21.75 18.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.742 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 15.2 t80 61.28 119.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.1 0.476 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 165.94 -51.43 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.63 -43.43 80.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.104 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -54.23 -33.15 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.9 t30 48.8 29.79 2.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.6 mtt -156.02 -79.8 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.503 ' C ' HD23 ' A' ' 97' ' ' LEU . 4.0 p30 -177.18 -172.61 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.603 ' HG ' HD22 ' A' ' 98' ' ' LEU . 1.1 pt? -174.56 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.603 HD22 ' HG ' ' A' ' 97' ' ' LEU . 1.5 mm? -63.89 -23.16 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 103' ' ' LEU . 7.1 tttp -54.12 -28.54 40.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.348 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tp60 -82.87 -38.63 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.75 -39.03 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 102' ' ' LEU . 4.1 pp -74.99 -26.82 59.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 99' ' ' LYS . 13.9 mt -76.63 -46.71 24.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.742 HD12 ' N ' ' A' ' 105' ' ' LEU . 2.6 pp -63.28 -46.71 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.598 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.742 ' N ' HD12 ' A' ' 104' ' ' ILE . 3.5 pp -63.7 -41.34 98.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.708 0.29 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.725 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.2 m80 -67.48 -40.88 85.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.651 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -30.63 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.87 -37.34 55.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.92 -34.05 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -14.01 62.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.284 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -55.76 -30.46 61.3 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.713 0.292 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.47 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -174.12 -70.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.582 ' O ' HG22 ' A' ' 113' ' ' VAL . 12.7 p 43.92 36.83 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.631 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.766 0.317 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.65 145.08 39.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -144.62 128.69 17.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' HB2' HG23 ' A' ' 86' ' ' ILE . 28.7 mt-30 -133.65 143.56 48.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -131.89 113.31 13.31 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.14 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.79 HD12 ' CG2' ' A' ' 84' ' ' ILE . 0.8 OUTLIER -88.21 122.38 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.12 103.36 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.6 ' HB2' HD12 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -95.21 152.71 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.304 0.573 . . . . 0.0 110.854 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.7 t 70.28 129.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.081 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' HB2' HD21 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -110.94 -69.48 0.87 Allowed 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.989 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -153.08 93.01 1.68 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.108 0.48 . . . . 0.0 110.535 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.92 165.86 12.42 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.636 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.73 173.55 1.94 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt 69.38 -66.62 0.25 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.03 -56.62 2.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.287 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD13 ' HB ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER 60.22 -176.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.969 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -176.92 128.93 0.17 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.499 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 m -107.51 24.27 13.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.809 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -86.3 -3.3 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.412 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.8 m120 -52.75 -34.66 53.84 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.37 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.2 ptp -65.66 -35.94 82.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.886 0.374 . . . . 0.0 110.783 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.505 ' HA ' HG22 ' A' ' 50' ' ' ILE . 2.1 tptp -73.2 -25.11 60.63 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.52 -37.68 65.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.91 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.918 HG21 HD11 ' A' ' 84' ' ' ILE . 7.9 t -74.76 -45.41 44.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.739 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 47' ' ' LYS . 19.1 tt -59.18 -29.32 41.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.279 0.562 . . . . 0.0 110.602 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.49 -52.82 8.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.451 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -67.49 -34.36 76.99 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.479 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.23 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.46 -49.73 17.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -41.28 77.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.937 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.422 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 88.2 m-20 -64.35 -49.11 72.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.703 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.3 mt -50.75 -62.0 1.87 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -57.46 -28.38 63.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -57.98 -36.78 73.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.572 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.1 m-85 -79.2 -37.85 37.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.522 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 3.9 t80 -70.41 -27.92 64.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.18 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -87.82 -29.28 21.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.531 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -97.8 -47.73 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' PHE . 87.9 m-70 -118.11 9.39 12.66 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' HIS . 14.5 t80 58.11 131.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.945 0.403 . . . . 0.0 111.542 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.407 ' N ' ' HA ' ' A' ' 61' ' ' PHE . 7.3 mmtm 61.56 130.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.25 163.46 27.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -129.68 -44.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.017 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -91.83 146.05 24.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 tttt -117.44 152.55 34.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.587 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.781 HD12 HD12 ' A' ' 86' ' ' ILE . 5.0 tt -137.69 118.37 16.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.932 0.396 . . . . 0.0 111.758 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -97.52 128.17 44.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.086 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.508 ' HB3' HD13 ' A' ' 84' ' ' ILE . 19.2 p90 -133.7 143.55 48.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.268 0.556 . . . . 0.0 111.292 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 158.28 34.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.756 ' HA ' HD22 ' A' ' 82' ' ' LEU . 4.3 tt -103.18 126.76 57.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.697 0.76 . . . . 0.0 110.96 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 m -87.95 116.31 26.03 Favored 'General case' 0 CA--C 1.527 0.085 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.761 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.671 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 64.08 144.93 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.561 -179.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.671 ' HD2' HG22 ' A' ' 77' ' ' THR . 10.3 Cg_endo -52.0 -34.51 57.17 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.427 2.085 . . . . 0.0 112.375 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.428 ' HB ' HD13 ' A' ' 41' ' ' LEU . 1.3 pt -155.79 75.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.009 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -146.03 -77.56 0.19 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.434 0.459 . . . . 0.0 110.877 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.409 ' CZ ' ' O ' ' A' ' 35' ' ' LEU . 6.5 m-85 -136.98 169.64 17.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.078 0.466 . . . . 0.0 111.139 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.756 HD22 ' HA ' ' A' ' 75' ' ' ILE . 1.8 tm? -122.24 125.02 45.15 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.321 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.64 ' N ' HD13 ' A' ' 82' ' ' LEU . 1.3 m -108.99 124.71 51.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.232 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.918 HD11 HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -130.03 112.85 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.86 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.46 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 95.8 m-85 -117.27 111.96 20.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.851 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.781 HD12 HD12 ' A' ' 71' ' ' ILE . 7.8 tt -101.22 99.92 12.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.59 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 84.9 Cg_endo -85.69 126.07 2.93 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.547 2.164 . . . . 0.0 112.148 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.8 t -162.54 135.12 5.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 1.3 tp -59.02 -19.64 45.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.506 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 61.3 t80 65.12 131.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.43 . . . . 0.0 110.871 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.35 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.499 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -78.75 -22.94 45.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -95.13 25.85 4.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 2.3 t30 -56.0 -22.13 25.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 67.0 mtm -89.6 14.19 12.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.401 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 59.3 102.55 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.857 0.36 . . . . 0.0 111.087 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.78 -3.88 10.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.386 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 86' ' ' ILE . 3.6 mm? -64.27 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.658 0.266 . . . . 0.0 111.299 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -24.5 8.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.37 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.76 -33.58 68.77 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.332 0.586 . . . . 0.0 110.638 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.416 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -81.38 -38.95 25.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.93 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.753 ' O ' HD13 ' A' ' 102' ' ' LEU . 3.3 tm? -70.62 -31.83 68.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.533 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -45.1 19.65 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.733 0.301 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.3 tp -58.07 -39.11 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.706 -0.225 . . . . 0.0 111.141 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.856 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.5 pp -75.23 -38.85 60.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.882 0.372 . . . . 0.0 111.003 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.856 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.4 t-80 -72.17 -59.95 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -53.2 -33.22 51.86 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.027 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.416 ' HA ' HG11 ' A' ' 113' ' ' VAL . 6.9 t70 -65.65 -63.28 1.13 Allowed 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.45 HD21 ' HB2' ' A' ' 35' ' ' LEU . 14.0 tp -66.34 -21.97 66.26 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -59.79 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -86.62 -64.99 1.06 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.338 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.458 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER 168.97 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 111.018 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.8 p 43.95 38.02 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.613 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.757 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.681 0.277 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 4.1 t 74.0 -62.27 0.47 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.778 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.84 129.95 55.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.528 ' NE2' HD22 ' A' ' 98' ' ' LEU . 1.2 tt0 -137.96 143.19 40.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 2.0 pt-20 -135.39 137.2 42.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.959 0.409 . . . . 0.0 111.665 -179.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 HG21 ' A' ' 84' ' ' ILE . 1.2 mt -115.36 110.99 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.468 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.55 126.77 36.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.397 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.803 HD23 ' HB3' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -131.06 -178.06 4.66 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.326 178.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.614 ' HB ' HD21 ' A' ' 109' ' ' LEU . 38.6 t -152.07 121.86 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.269 0.557 . . . . 0.0 111.452 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -78.14 165.03 24.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.894 179.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.695 ' H ' HD23 ' A' ' 35' ' ' LEU . 10.8 ptmt -140.39 123.19 16.39 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.163 0.506 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.24 102.34 1.25 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.736 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -119.37 95.85 4.97 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.016 0.436 . . . . 0.0 110.699 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 mt 62.73 -80.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.752 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -90.54 93.72 9.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.634 0.254 . . . . 0.0 110.587 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.636 ' O ' HD23 ' A' ' 41' ' ' LEU . 3.0 tt -80.19 65.87 5.49 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.712 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.08 25.49 11.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p 50.03 81.79 0.06 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.28 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.39 -28.79 23.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' VAL . 5.2 m120 -53.2 -43.56 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.332 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -60.66 -29.96 69.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.214 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.23 -34.15 68.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.619 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.7 t -66.51 -51.45 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.575 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.438 ' HB ' ' CZ ' ' A' ' 73' ' ' TYR . 1.7 tt -59.06 -30.26 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.613 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.97 -47.76 57.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.185 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -72.7 -35.44 67.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.666 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -65.29 -29.71 70.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.831 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -43.0 36.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.614 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -59.41 -35.25 73.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.988 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 31.1 m-20 -71.3 -51.43 24.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.557 179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 53' ' ' ALA . 2.2 mt -52.77 -58.28 7.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.085 0.469 . . . . 0.0 110.755 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.2 -27.7 68.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.72 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -35.56 74.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.533 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.446 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 6.9 m-85 -78.58 -37.41 42.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.361 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.0 t80 -76.78 -20.29 56.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.021 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -87.77 -31.65 19.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.89 -52.16 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.964 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -102.44 9.81 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.7 t80 47.18 29.18 1.11 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.679 0.276 . . . . 0.0 111.298 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.32 151.96 31.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.23 -76.45 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.773 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 55.71 29.76 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.626 ' OD2' HG23 ' A' ' 88' ' ' THR . 0.7 OUTLIER -176.12 137.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 mtpm? -127.09 161.88 27.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.748 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.485 HG23 ' HB ' ' A' ' 86' ' ' ILE . 20.6 mt -138.92 144.73 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.182 0.515 . . . . 0.0 111.506 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.22 152.0 48.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.706 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.619 ' HB3' HG11 ' A' ' 49' ' ' VAL . 11.8 p90 -143.98 147.09 33.43 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -164.22 168.78 18.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.606 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.549 HG22 HD12 ' A' ' 82' ' ' LEU . 4.8 pt -131.02 165.99 29.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.86 -171.93 0.94 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.629 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 63.69 141.8 0.06 OUTLIER Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HD2' HG22 ' A' ' 77' ' ' THR . 61.9 Cg_endo -73.21 -7.11 20.04 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.33 2.02 . . . . 0.0 113.226 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.6 pt -95.12 23.68 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.227 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.19 49.47 17.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.998 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -86.53 131.22 34.23 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.775 HD11 HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -101.14 131.89 46.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.96 0.41 . . . . 0.0 111.061 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.86 113.84 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.586 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.499 HG21 HD12 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -100.2 117.65 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.293 -179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.451 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 15.6 m-85 -102.44 84.83 2.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.751 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.491 HG23 ' HB3' ' A' ' 29' ' ' GLN . 7.1 tt -93.74 105.22 15.56 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.77 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 71' ' ' ILE . 2.9 Cg_exo -75.39 111.36 3.29 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.62 2.214 . . . . 0.0 111.678 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.626 HG23 ' OD2' ' A' ' 69' ' ' ASP . 11.3 m -148.9 140.48 23.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.013 0.435 . . . . 0.0 111.12 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 3.2 mm? -70.15 -27.65 64.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.475 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.548 ' H ' HG22 ' A' ' 88' ' ' THR . 40.1 t80 73.95 142.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.011 0.434 . . . . 0.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 90' ' ' PHE . 11.4 t0 81.6 1.08 1.55 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.342 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -31.46 31.8 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.962 0.41 . . . . 0.0 110.57 179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -103.35 1.56 32.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.226 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 71.36 60.97 0.16 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 121.019 0.437 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.7 mtt 59.18 41.18 20.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.46 86.38 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.66 -73.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.528 HD22 ' NE2' ' A' ' 29' ' ' GLN . 0.5 OUTLIER -68.96 -27.59 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -32.52 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -82.36 -36.5 26.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -73.42 -34.39 65.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.081 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -77.05 -33.89 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -76.26 -27.6 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.309 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 101' ' ' ALA . 2.0 tp -79.64 -39.13 20.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.293 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.82 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.6 pp -70.94 -37.64 72.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 110.718 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.82 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -70.19 -47.63 60.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 111.334 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -60.72 -51.58 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.249 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.46 -37.33 67.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.963 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.87 -42.63 69.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -81.88 -8.95 59.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.676 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -82.09 1.4 36.15 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.512 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -120.85 -34.78 3.48 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 120.726 0.298 . . . . 0.0 110.72 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.614 ' O ' HG22 ' A' ' 113' ' ' VAL . 8.8 p -92.6 48.11 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.147 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.083 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.872 0.368 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.681 ' HA ' HD22 ' A' ' 89' ' ' LEU . 1.8 m 71.37 -64.65 0.38 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -134.19 127.72 32.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.4 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.479 ' HB3' HG23 ' A' ' 86' ' ' ILE . 2.8 tp60 -140.03 143.24 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 85' ' ' PHE . 4.3 pt-20 -136.07 121.79 19.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.555 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 ' HG ' ' A' ' 102' ' ' LEU . 2.1 mp -97.98 100.02 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.572 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 pt -98.98 130.49 47.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.599 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.835 ' CB ' HD13 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.48 -160.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.624 179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.887 ' HA ' HD22 ' A' ' 109' ' ' LEU . 20.9 t 63.93 124.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.942 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' CE1' ' A' ' 81' ' ' PHE . 2.4 tp -132.29 175.14 9.53 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 123.818 0.699 . . . . 0.0 111.216 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt 67.51 -67.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 111.301 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.72 -98.06 1.79 Allowed Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.938 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.63 176.69 0.05 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 39' ' ' LEU . 12.0 tp 58.47 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.102 0.477 . . . . 0.0 110.888 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' HB3' HD12 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -109.93 -170.22 1.61 Allowed 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.911 0.386 . . . . 0.0 110.999 179.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' A' ' 40' ' ' ASP . 7.5 mp 64.13 -76.54 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.69 98.0 6.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.495 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -86.83 139.01 31.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.59 -29.02 22.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -57.39 -61.31 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -56.65 -37.18 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.969 0.414 . . . . 0.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.5 ' HA ' HG22 ' A' ' 50' ' ' ILE . 6.9 tttt -70.28 -25.27 63.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.011 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.911 ' ND2' HD11 ' A' ' 104' ' ' ILE . 2.0 m120 -72.52 -34.33 67.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.866 HG21 HD11 ' A' ' 84' ' ' ILE . 12.3 t -79.22 -45.4 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.176 0.512 . . . . 0.0 111.488 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.5 HG22 ' HA ' ' A' ' 47' ' ' LYS . 6.0 tp -57.28 -36.72 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.85 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.27 -56.84 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.802 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -59.84 -45.57 91.99 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.806 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 71' ' ' ILE . . . -59.79 -28.92 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -46.06 70.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -36.43 83.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.55 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 55.9 m-80 -65.19 -56.7 11.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mt -51.08 -58.04 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.121 0.486 . . . . 0.0 110.752 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -60.89 -28.18 68.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.743 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -58.85 -35.91 73.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.563 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 69' ' ' ASP . 16.7 m-85 -78.99 -37.23 39.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.749 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -75.06 -24.8 58.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.0 tttp -87.63 -33.39 18.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.867 0.365 . . . . 0.0 111.222 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -52.14 3.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.911 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -106.49 9.62 31.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.501 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.8 OUTLIER 49.11 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.746 179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.23 167.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 111.047 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' CE2' ' A' ' 61' ' ' PHE . 0.7 OUTLIER -95.79 112.09 23.9 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.997 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -145.86 152.75 39.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.439 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 1.0 OUTLIER 63.46 105.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.054 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' O ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 tppt? -115.99 163.35 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.585 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.998 HD12 HD12 ' A' ' 86' ' ' ILE . 20.0 tt -149.18 103.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.44 ' H ' ' HD3' ' A' ' 87' ' ' PRO . 71.0 m -93.64 116.61 29.11 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.796 ' HB2' HD13 ' A' ' 84' ' ' ILE . 25.0 p90 -110.1 147.7 33.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.137 0.494 . . . . 0.0 111.523 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -165.5 168.99 16.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.332 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 82' ' ' LEU . 2.2 pp -114.24 137.62 46.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.3 t -132.45 -169.66 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.451 0.643 . . . . 0.0 110.754 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.6 p 63.13 130.31 0.03 OUTLIER Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.078 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.27 -24.92 28.47 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.605 2.203 . . . . 0.0 113.044 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.566 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.5 mp -72.98 -7.76 10.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.832 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.1 t30 70.27 81.68 0.16 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.437 ' CZ ' ' HB ' ' A' ' 79' ' ' ILE . 22.1 m-85 -119.34 161.59 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 34' ' ' VAL . 7.7 tp -92.21 99.62 12.38 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.774 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.6 m -100.84 95.93 6.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.91 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.866 HD11 HG21 ' A' ' 49' ' ' VAL . 1.1 mm -92.94 129.05 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.229 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.59 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -124.58 88.03 2.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.908 179.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.998 HD12 HD12 ' A' ' 71' ' ' ILE . 16.2 tt -84.74 102.57 2.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 123.47 0.481 . . . . 0.0 111.767 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.59 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.4 Cg_endo -87.69 117.72 1.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.987 2.458 . . . . 0.0 111.671 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.8 t -167.91 143.05 3.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.199 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 27' ' ' SER . 3.5 mm? -91.19 86.5 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.58 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -57.03 99.93 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.1 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.493 -1.23 . . . . 0.0 111.076 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -58.09 2.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.168 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -52.69 -28.56 22.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.027 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 55.85 27.29 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.42 -79.26 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.811 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.68 94.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.19 78.97 3.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD21 HG21 ' A' ' 86' ' ' ILE . 4.9 mt -88.02 -26.07 22.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.042 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -55.84 -24.58 37.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.411 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -80.6 -37.22 31.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -62.23 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.862 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.617 ' HG ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -76.84 -29.96 56.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.9 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -27.78 58.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.911 HD11 ' ND2' ' A' ' 48' ' ' ASN . 8.6 tp -81.13 -37.63 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.835 HD13 ' CB ' ' A' ' 33' ' ' LEU . 4.5 pp -76.97 -37.21 55.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.817 0.341 . . . . 0.0 110.734 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.742 ' N ' HD12 ' A' ' 105' ' ' LEU . 8.9 t-160 -71.13 -48.75 50.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.19 -50.13 75.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -58.05 -28.57 64.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.887 HD22 ' HA ' ' A' ' 34' ' ' VAL . 45.8 tp -94.4 -16.45 23.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.328 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -55.28 -19.56 8.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.548 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -76.76 1.45 17.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -143.89 -49.47 0.3 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.872 0.368 . . . . 0.0 111.238 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.673 ' O ' HG13 ' A' ' 113' ' ' VAL . 14.4 p -61.66 102.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.278 0.561 . . . . 0.0 110.99 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.723 179.794 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.707 0.289 . . . . 0.0 110.778 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.4 OUTLIER 83.69 -16.76 0.52 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.728 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -133.71 127.25 32.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.936 0.398 . . . . 0.0 111.485 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.811 ' NE2' HD21 ' A' ' 98' ' ' LEU . 11.6 mm100 -147.67 141.85 26.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.609 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.58 137.12 41.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.355 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.675 HD22 HD21 ' A' ' 105' ' ' LEU . 6.4 mt -133.56 114.13 13.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.429 ' HB ' ' CE2' ' A' ' 81' ' ' PHE . 1.1 pt -79.46 149.22 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.487 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD23 ' CG2' ' A' ' 34' ' ' VAL . 2.5 tt -132.07 155.44 48.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.613 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.719 ' HA ' HD13 ' A' ' 109' ' ' LEU . 14.0 t 71.59 132.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.179 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.17 -52.99 1.11 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.897 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -167.07 97.83 0.52 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.809 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.39 -74.03 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.548 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.54 147.27 35.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.606 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mp -135.57 -57.55 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.924 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.756 ' O ' HD22 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -60.36 -73.27 0.09 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.668 -179.568 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 40' ' ' ASP . 1.7 mm? -137.89 179.79 6.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -153.27 -67.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.951 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.4 m 70.4 -62.57 0.43 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.05 -27.27 2.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.479 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -54.18 -66.46 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.403 0.44 . . . . 0.0 111.092 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.42 ' HB3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -57.13 -31.02 64.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HA ' HG22 ' A' ' 50' ' ' ILE . 60.4 mmtt -76.51 -23.4 53.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -75.18 -36.8 61.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.737 HG11 ' CB ' ' A' ' 73' ' ' TYR . 16.1 t -76.08 -44.73 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.165 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' A' ' 47' ' ' LYS . 4.9 tp -59.98 -43.41 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.47 ' N ' HG23 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -64.65 -54.5 30.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.765 ' ND2' HG21 ' A' ' 104' ' ' ILE . 3.9 m120 -60.62 -46.31 90.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.752 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.867 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -57.29 -31.04 65.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -35.49 64.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.521 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -60.45 -51.14 70.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.583 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 65.4 m-80 -59.83 -56.5 21.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.678 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -48.09 -57.62 5.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.72 -28.64 67.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -36.82 70.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.675 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 18.8 m-85 -82.24 -33.04 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.588 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 4.2 t80 -73.34 -27.81 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.074 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tttm -87.57 -26.94 22.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.322 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -97.58 -48.54 5.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.355 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -96.23 9.81 39.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.752 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 4.6 t80 51.17 26.49 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.242 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 149.15 26.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.27 115.39 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -128.54 168.64 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.9 t0 63.65 127.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 151.72 35.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.826 HG21 ' HB1' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -145.15 126.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.988 0.423 . . . . 0.0 111.417 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.495 ' N ' HD13 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -114.73 116.91 29.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.665 179.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.919 ' HB2' HD12 ' A' ' 84' ' ' ILE . 3.8 p90 -111.47 154.65 24.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.032 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -161.28 152.5 18.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.343 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.54 HG23 ' CD1' ' A' ' 82' ' ' LEU . 4.0 mp -106.64 154.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.18 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 75' ' ' ILE . 3.1 m -122.02 110.31 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.092 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -81.62 -49.77 0.93 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.1 Cg_exo -47.12 -26.57 5.35 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.54 2.16 . . . . 0.0 113.09 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.605 ' O ' HG22 ' A' ' 79' ' ' ILE . 18.2 mt -130.86 12.99 2.01 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 N-CA-C 111.73 0.271 . . . . 0.0 111.73 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.3 p30 43.28 30.98 0.34 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.078 0.466 . . . . 0.0 111.361 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.429 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 31.0 t80 -107.85 166.9 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.236 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.54 ' CD1' HG23 ' A' ' 75' ' ' ILE . 1.5 tp -122.15 136.84 54.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.944 0.402 . . . . 0.0 111.232 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.532 ' C ' HD13 ' A' ' 84' ' ' ILE . 1.7 t -131.94 115.93 16.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.714 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.919 HD12 ' HB2' ' A' ' 73' ' ' TYR . 6.2 mm -112.03 93.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 111.471 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.1 OUTLIER -84.63 85.55 7.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.089 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 86' ' ' ILE . 15.7 tt -83.15 106.55 7.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.66 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD3' ' H ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -83.74 116.23 2.2 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.905 2.403 . . . . 0.0 111.883 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -160.23 143.31 13.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.926 0.393 . . . . 0.0 111.287 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 45.5 tp -86.14 -16.6 37.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.33 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.61 ' CD1' HD22 ' A' ' 97' ' ' LEU . 8.9 t80 63.42 125.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.028 0.442 . . . . 0.0 110.709 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.96 -35.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.671 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -57.23 13.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -57.9 -26.06 61.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.7 m120 53.42 27.71 6.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.252 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -162.48 -77.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -121.93 -175.07 3.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD22 ' CD1' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -167.18 -37.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.252 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.811 HD21 ' NE2' ' A' ' 29' ' ' GLN . 1.7 mp -87.99 -20.26 26.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.257 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 103' ' ' LEU . 2.4 tttm -54.32 -26.35 29.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.31 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -83.23 -43.46 16.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.694 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.635 ' O ' HD23 ' A' ' 105' ' ' LEU . . . -75.15 -26.65 59.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.048 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 1.1 tt -80.9 -32.38 34.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 99' ' ' LYS . 3.4 mm? -76.76 -28.68 55.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.274 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.765 HG21 ' ND2' ' A' ' 52' ' ' ASN . 1.1 pp -82.67 -38.07 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.675 HD21 HD22 ' A' ' 31' ' ' LEU . 3.8 pp -78.14 -36.39 47.84 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 21.1 t60 -71.35 -53.85 12.75 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 111.04 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -59.64 -30.95 69.09 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.928 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.522 ' HA ' HG11 ' A' ' 113' ' ' VAL . 15.1 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.029 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 34' ' ' VAL . 3.9 tp -99.51 -0.81 39.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.861 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -72.35 0.31 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.322 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -86.91 -64.57 1.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.412 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.4 OUTLIER 171.58 -55.69 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.721 -179.56 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 113' ' ' VAL . 11.7 p 43.59 47.04 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.24 0.574 0 CA-C-O 120.918 0.389 . . . . 0.0 110.912 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.519 ' N ' HD13 ' A' ' 89' ' ' LEU . 2.0 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.716 0.293 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.441 ' HB2' ' CE2' ' A' ' 90' ' ' PHE . 0.4 OUTLIER -136.34 -172.19 3.08 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.197 0.522 . . . . 0.0 111.478 -179.529 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -120.73 146.61 46.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.513 ' HB2' HG23 ' A' ' 86' ' ' ILE . 55.1 mm-40 -134.98 143.14 46.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.36 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.52 128.45 31.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.629 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 84' ' ' ILE . 1.8 mp -98.18 114.2 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.465 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 32' ' ' ILE . 11.7 tt -77.74 109.0 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.7 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.775 HD23 ' CB ' ' A' ' 105' ' ' LEU . 3.4 mt -100.78 128.98 46.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.228 179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 t -115.71 104.25 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.272 0.558 . . . . 0.0 111.21 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.737 HD11 ' OG ' ' A' ' 43' ' ' SER . 0.2 OUTLIER -96.78 157.81 15.72 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.024 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.62 75.12 9.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.958 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -73.36 138.88 25.87 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.424 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.42 49.25 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.822 0.344 . . . . 0.0 110.829 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.5 tp 62.35 42.22 9.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.782 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -149.52 125.85 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.559 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.45 99.15 9.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.043 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -154.14 42.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.737 ' OG ' HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -128.09 124.41 36.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.991 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -86.6 -3.34 59.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.394 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -40.17 -57.53 1.68 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 111.965 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -53.86 51.01 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' ' 50' ' ' ILE . 7.4 ttmt -60.19 -25.95 65.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.768 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -69.84 -41.38 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.368 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.792 HG11 ' HB3' ' A' ' 73' ' ' TYR . 62.1 t -61.34 -46.33 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 47' ' ' LYS . 6.5 mt -60.29 -37.18 72.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -76.78 -50.01 14.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.67 -55.3 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.789 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.548 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -54.91 -30.91 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -81.9 -52.24 7.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -58.21 -44.5 88.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.638 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 71.2 m-20 -62.77 -56.56 16.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.619 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.816 ' HG ' HD12 ' A' ' 71' ' ' ILE . 36.3 mt -48.04 -60.03 2.92 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.628 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.44 -27.54 64.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.922 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -36.45 73.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.747 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 4.3 m-85 -84.49 -35.45 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -70.22 -29.1 65.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -87.26 -32.76 19.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -84.92 -48.54 9.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.073 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -97.73 9.79 41.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.606 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 63.43 -72.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.27 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 64' ' ' HIS . 0.4 OUTLIER -127.34 100.44 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.812 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.09 -178.94 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -120.17 104.73 10.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -173.47 139.2 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tptp -137.24 140.31 41.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.816 HD12 ' HG ' ' A' ' 57' ' ' LEU . 30.0 mt -133.8 132.37 56.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.064 0.459 . . . . 0.0 111.475 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -138.28 174.27 10.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.761 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.901 ' HB2' HD13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -160.06 155.75 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.901 179.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -163.78 168.85 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.065 0.459 . . . . 0.0 111.921 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 81' ' ' PHE . 3.4 mp -105.52 149.49 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.033 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -154.59 -177.55 6.56 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.051 0.453 . . . . 0.0 111.275 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.612 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER 70.37 142.42 0.09 OUTLIER Pre-proline 0 CA--C 1.518 -0.256 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.08 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.612 ' HD2' HG22 ' A' ' 77' ' ' THR . 88.9 Cg_exo -46.76 -31.51 10.75 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.701 2.268 . . . . 0.0 111.847 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 80' ' ' ASN . 8.1 mt -96.37 165.65 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.906 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.489 ' N ' HG22 ' A' ' 79' ' ' ILE . 2.5 m120 -64.57 72.71 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.934 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' ILE . 2.1 t80 -95.66 127.52 41.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' HB3' HD12 ' A' ' 33' ' ' LEU . 4.5 mm? -95.61 102.67 14.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.098 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.0 116.8 32.69 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.901 HD13 ' HB2' ' A' ' 73' ' ' TYR . 5.0 mm -86.76 142.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -129.27 86.69 2.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.253 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 29' ' ' GLN . 5.3 tt -95.51 104.31 15.44 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.613 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -83.45 121.04 2.93 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 t -172.11 172.61 4.57 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.21 0.528 . . . . 0.0 112.123 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 26' ' ' THR . 5.6 tp -108.33 91.81 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.614 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 27' ' ' SER . 9.0 p90 -62.53 84.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 110.744 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -178.01 -42.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -58.26 8.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.621 ' CG ' HD21 ' A' ' 97' ' ' LEU . 1.4 m120 -61.53 -23.69 66.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.965 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 51.28 29.68 5.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.7 mtp -128.55 -80.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.14 -62.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 93' ' ' ASN . 10.9 mt 73.47 -60.35 0.53 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 86' ' ' ILE . 4.2 mt -51.83 -23.94 5.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.437 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -28.62 1.7 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -57.42 3.81 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.84 0.352 . . . . 0.0 110.124 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.68 -43.1 84.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.572 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -62.29 -30.79 71.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.577 179.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.43 -25.34 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.719 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 36.8 mm -77.03 -44.76 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.775 ' CB ' HD23 ' A' ' 33' ' ' LEU . 1.5 pp -65.85 -34.96 79.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.758 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -70.24 -43.54 70.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.185 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.57 -29.39 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -30.16 41.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.847 0.356 . . . . 0.0 111.13 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.27 -29.13 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.1 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -75.07 -6.95 52.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.598 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -55.06 -63.63 1.09 Allowed 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.026 0.441 . . . . 0.0 111.105 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.42 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -163.04 -72.03 0.05 OUTLIER 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.825 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.5 p 43.06 43.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.718 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 C--O 1.238 0.452 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.721 -179.837 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.9 t -145.04 72.02 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 117.96 24.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.517 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.495 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.5 tt0 -115.92 143.51 45.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.001 0.429 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -134.84 137.21 43.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.177 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 98' ' ' LEU . 4.8 mp -120.87 114.67 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 pt -78.04 119.61 27.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -106.05 -175.82 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.031 0.443 . . . . 0.0 110.895 179.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.543 ' H ' HD23 ' A' ' 33' ' ' LEU . 61.2 t -144.23 119.06 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.836 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -69.52 147.64 50.55 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.079 179.508 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -140.93 177.15 8.24 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.22 0.533 . . . . 0.0 110.89 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -141.0 135.62 7.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.38 121.89 9.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.062 0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 68.94 -67.05 0.22 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.688 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.69 170.83 18.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.686 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.55 105.29 1.46 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.2 -34.71 5.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m 60.67 56.75 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.17 64.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.537 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -56.95 -58.3 8.76 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.049 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.86 -31.87 72.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.911 0.386 . . . . 0.0 110.623 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -77.36 -23.05 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 179.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' OD1' HG21 ' A' ' 104' ' ' ILE . 18.5 t-20 -74.9 -35.11 62.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.841 HG21 HD11 ' A' ' 84' ' ' ILE . 15.5 t -79.4 -42.33 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.023 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.5 tt -61.79 -36.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 111.012 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.74 -50.72 22.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.463 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.411 ' ND2' HG21 ' A' ' 104' ' ' ILE . 3.7 m-80 -66.53 -50.35 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.686 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -56.84 -28.16 61.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' A' ' 57' ' ' LEU . 4.0 mtmp? -78.27 -56.19 4.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -56.11 -36.0 67.7 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 70.9 m-20 -70.36 -42.65 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.713 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 54' ' ' LYS . 8.4 mt -51.95 -61.66 2.12 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.059 0.456 . . . . 0.0 110.851 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -58.06 -27.82 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -59.23 -34.81 72.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.445 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 8.7 m-85 -80.22 -34.61 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.535 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -70.75 -28.36 64.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.013 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -88.03 -32.3 18.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.409 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 -51.54 4.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.94 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -104.08 9.61 36.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.511 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER 45.54 -164.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.441 179.702 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.24 107.99 0.84 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 179.99 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 60' ' ' TYR . 36.9 p90 -56.59 156.79 5.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.445 ' CB ' ' HA ' ' A' ' 88' ' ' THR . 0.4 OUTLIER -81.06 -154.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.663 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' O ' ' O ' ' A' ' 87' ' ' PRO . 1.6 tttt -123.17 150.92 42.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.732 0.301 . . . . 0.0 110.952 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.713 HG23 ' CG1' ' A' ' 86' ' ' ILE . 10.3 mt -117.54 144.02 26.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.278 0.561 . . . . 0.0 111.334 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -138.33 168.78 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.227 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.855 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.5 p90 -160.07 153.89 22.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.813 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -149.92 160.76 43.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 35' ' ' LEU . 16.0 tt -114.21 136.12 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.7 m -104.79 84.48 2.16 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.814 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.451 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -58.27 -61.67 7.07 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.456 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.6 Cg_endo -54.15 -24.38 33.13 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.465 2.11 . . . . 0.0 112.262 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.5 mm -92.07 -15.77 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.323 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 64.64 21.32 12.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.036 0.446 . . . . 0.0 111.279 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -136.63 168.65 19.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.695 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 33' ' ' LEU . 4.0 mm? -104.64 138.21 41.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.92 94.28 4.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.357 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.855 HD13 ' HB2' ' A' ' 73' ' ' TYR . 2.7 mm -83.03 133.23 29.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.336 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.3 m-85 -129.22 101.06 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.716 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.713 ' CG1' HG23 ' A' ' 71' ' ' ILE . 5.8 tt -104.04 97.56 11.67 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 7.2 Cg_exo -72.77 105.89 2.01 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.587 2.191 . . . . 0.0 112.501 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.87 HG22 ' H ' ' A' ' 90' ' ' PHE . 53.1 m -132.92 148.14 52.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.471 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 tp -105.02 15.54 27.48 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.87 ' H ' HG22 ' A' ' 88' ' ' THR . 4.4 t80 60.37 120.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.004 0.43 . . . . 0.0 110.733 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.88 -32.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.816 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.44 136.34 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' HB2' HD13 ' A' ' 97' ' ' LEU . 2.5 p-10 42.46 30.08 0.19 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.587 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -54.42 -25.95 27.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.038 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.1 mtm -60.62 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.71 147.19 5.92 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.433 HD13 ' HB2' ' A' ' 93' ' ' ASN . 0.7 OUTLIER 179.74 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -53.94 -19.91 5.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.745 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -45.28 -27.85 0.72 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.056 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -76.09 -44.64 37.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.996 0.427 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -33.45 75.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.663 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -78.78 -29.32 44.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.893 179.646 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.0 mt -70.92 -29.09 65.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.595 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.513 HG21 ' OD1' ' A' ' 48' ' ' ASN . 26.7 pt -84.72 -45.17 17.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.323 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.569 ' C ' HD12 ' A' ' 105' ' ' LEU . 2.9 pp -66.77 -33.87 76.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.444 ' N ' HD12 ' A' ' 105' ' ' LEU . 31.3 t60 -76.5 -31.76 57.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.342 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.452 ' HA ' ' CE1' ' A' ' 110' ' ' HIS . 1.4 m-20 -62.34 -38.84 91.06 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.692 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -88.29 -14.67 37.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.173 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -63.21 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.01 0.434 . . . . 0.0 111.009 -179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.452 ' CE1' ' HA ' ' A' ' 107' ' ' ASN . 2.0 p-80 -63.41 -15.69 58.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.427 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -29.6 46.03 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.403 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.1 OUTLIER 179.9 -56.52 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.634 179.372 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.605 ' O ' HG22 ' A' ' 113' ' ' VAL . 9.8 p 43.27 48.88 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.542 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.84 179.808 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.762 0.315 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -101.86 102.81 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.85 134.25 35.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.4 mm-40 -134.4 143.39 47.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -135.26 137.18 42.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.277 -179.344 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.608 HD13 ' HB1' ' A' ' 101' ' ' ALA . 2.3 mt -107.64 148.84 28.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.648 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 32' ' ' ILE . 9.3 tp -109.96 124.67 66.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 84' ' ' ILE . 0.4 OUTLIER -123.03 154.9 37.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.797 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -148.23 117.52 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.138 0.494 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.68 HD13 HD22 ' A' ' 45' ' ' ASN . 3.1 tp -110.85 -165.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.862 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.99 130.15 0.3 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.02 27.85 3.32 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.663 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -94.92 97.19 9.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.215 0.531 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 mt -117.69 -50.4 2.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.51 -49.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.222 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -134.85 116.25 14.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.903 0.382 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -176.5 69.84 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.1 p -105.93 30.45 5.83 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.727 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -38.4 87.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.724 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.68 HD22 HD13 ' A' ' 35' ' ' LEU . 39.3 t-20 -70.37 -50.89 34.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG3' HD11 ' A' ' 75' ' ' ILE . 1.6 ttt -55.72 -53.17 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.473 ' HA ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -60.3 -23.85 64.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.339 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -70.89 -37.55 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.205 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 73' ' ' TYR . 21.7 t -73.97 -48.18 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.194 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -57.33 -35.23 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.172 -179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.1 -43.12 54.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' OD1' HD11 ' A' ' 104' ' ' ILE . 18.7 m120 -72.41 -53.51 12.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.826 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -56.12 -28.77 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -78.32 -47.81 16.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.7 -42.3 75.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.698 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 29.4 m-20 -64.91 -62.75 1.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.243 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.826 HD12 ' O ' ' A' ' 53' ' ' ALA . 3.8 mt -44.27 -55.73 4.67 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.263 0.554 . . . . 0.0 111.074 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 61' ' ' PHE . 3.0 mt-10 -55.32 -38.83 69.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 -24.65 61.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.022 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 98.6 m-85 -82.47 -54.59 5.08 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 58' ' ' GLU . 8.4 p90 -85.32 -28.32 25.32 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.885 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -87.49 -37.55 16.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.514 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.69 -51.68 4.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.581 0.229 . . . . 0.0 111.471 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -90.09 9.66 27.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.709 0.29 . . . . 0.0 111.706 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 2.0 t80 43.24 33.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.58 155.92 49.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -108.63 91.67 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -150.85 163.08 39.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.82 92.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.631 ' HA ' HD21 ' A' ' 57' ' ' LEU . 6.6 mttt -108.21 156.34 19.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.981 HD11 HD11 ' A' ' 97' ' ' LEU . 2.5 mp -133.97 146.2 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.283 0.564 . . . . 0.0 111.859 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.32 133.24 32.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.366 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.748 ' HB3' HG11 ' A' ' 49' ' ' VAL . 22.1 p90 -133.31 158.62 42.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.236 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -156.46 154.1 29.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.522 HD11 ' HG3' ' A' ' 46' ' ' MET . 4.7 mt -102.79 142.59 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.15 112.61 24.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.668 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -65.29 -61.8 5.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.505 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 77' ' ' THR . 10.0 Cg_endo -51.8 116.47 2.78 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.544 2.162 . . . . 0.0 112.571 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 79' ' ' ILE . 23.0 mm 72.6 9.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 49.66 62.76 2.47 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.873 0.368 . . . . 0.0 111.486 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.744 ' C ' HD22 ' A' ' 82' ' ' LEU . 3.9 m-85 -107.22 162.31 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.632 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.744 HD22 ' C ' ' A' ' 81' ' ' PHE . 3.1 mm? -122.64 108.89 13.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.819 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.21 116.74 32.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.766 HG13 HD12 ' A' ' 33' ' ' LEU . 0.7 OUTLIER -115.82 131.33 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.469 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 4.9 m-85 -129.14 90.77 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.606 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -87.46 106.01 10.22 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 5.1 Cg_exo -79.75 111.79 2.81 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.722 2.281 . . . . 0.0 112.214 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.42 HG22 ' HG3' ' A' ' 29' ' ' GLN . 12.7 t -126.6 -177.15 3.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.3 mp -111.35 -9.62 14.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.469 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.8 t80 64.21 136.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.05 0.452 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.0 t70 70.34 25.41 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.888 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.8 81.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.611 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 58.89 24.39 12.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.007 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 39.8 p-10 -65.94 -31.21 72.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.1 mmm -70.71 -29.44 65.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.97 51.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.981 HD11 HD11 ' A' ' 71' ' ' ILE . 7.5 tt -169.04 -61.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 86' ' ' ILE . 4.4 tp -60.87 -29.58 69.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -32.91 70.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -49.57 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.564 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.608 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -59.07 -43.81 91.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.834 179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.658 HD23 HD21 ' A' ' 105' ' ' LEU . 4.1 mt -67.15 -29.94 69.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -29.52 66.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 101' ' ' ALA . 18.7 mt -76.25 -54.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.658 HD21 HD23 ' A' ' 102' ' ' LEU . 3.0 pp -57.55 -30.04 64.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.066 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -53.64 11.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.518 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -64.55 -44.36 91.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.273 0.559 . . . . 0.0 110.985 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.55 -24.87 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.528 ' HA ' HG13 ' A' ' 113' ' ' VAL . 4.8 tt -95.45 -32.68 12.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.09 -18.48 42.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.8 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -37.43 72.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.321 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -169.13 -49.98 0.02 OUTLIER 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.592 ' O ' HG13 ' A' ' 113' ' ' VAL . 10.6 p -69.81 65.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.134 0.492 . . . . 0.0 111.224 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.403 ' HA ' ' HG ' ' A' ' 89' ' ' LEU . 14.6 t . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.009 0.433 . . . . 0.0 111.719 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.501 ' HG ' ' HE1' ' A' ' 90' ' ' PHE . 5.4 p -176.77 -165.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -176.48 138.11 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.095 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -116.02 143.19 45.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 1.9 pp20? -122.08 117.99 27.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.338 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HB3' HD21 ' A' ' 105' ' ' LEU . 1.2 mp -95.54 145.13 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.589 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.1 pt -112.3 133.37 58.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.458 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.745 HD22 ' H ' ' A' ' 34' ' ' VAL . 2.6 tm? -115.05 146.58 41.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.212 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.745 ' H ' HD22 ' A' ' 33' ' ' LEU . 29.8 t -123.52 107.76 19.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.361 0.6 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 ' OD1' ' A' ' 45' ' ' ASN . 0.2 OUTLIER -87.23 53.49 2.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.982 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -74.09 135.06 42.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.874 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.77 56.73 1.48 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.135 -0.555 . . . . 0.0 112.166 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -148.25 120.82 8.56 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.711 0.291 . . . . 0.0 110.742 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 tp -137.81 37.68 2.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.8 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.25 -51.28 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.779 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.608 ' C ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.82 168.81 10.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.791 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.47 ' N ' HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -163.09 78.96 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.053 -179.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.77 7.92 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.563 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -86.65 -35.1 19.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.864 0.364 . . . . 0.0 111.001 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.58 ' OD1' HD11 ' A' ' 35' ' ' LEU . 5.9 m120 -58.7 -45.57 89.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.595 ' HB3' HD11 ' A' ' 75' ' ' ILE . 18.4 ptp -57.78 -45.41 86.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HA ' HG22 ' A' ' 50' ' ' ILE . 5.1 mtpp -67.61 -23.62 65.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -72.49 -41.55 65.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.692 HG11 ' CB ' ' A' ' 73' ' ' TYR . 19.6 t -67.46 -49.05 74.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.7 tt -60.61 -39.73 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -72.77 -44.2 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.764 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.502 ' OD1' HG21 ' A' ' 104' ' ' ILE . 13.0 m120 -66.66 -47.69 71.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.689 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.541 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -57.75 -30.65 65.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.66 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -78.22 -50.04 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -58.74 -33.12 69.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.596 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 77.7 m-20 -70.08 -49.19 53.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.703 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD12 ' O ' ' A' ' 53' ' ' ALA . 3.6 mt -49.75 -58.9 4.42 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 110.842 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -59.75 -30.43 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.779 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -36.46 68.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.742 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.414 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 7.7 m-85 -79.58 -34.73 40.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.637 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.9 t80 -77.39 -25.08 50.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.317 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -32.93 18.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.232 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.79 -50.99 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -109.42 9.8 25.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 1.3 t80 47.35 29.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.737 0.304 . . . . 0.0 111.337 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 136.5 41.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.46 -23.73 10.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -56.53 89.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 111.025 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.532 ' O ' HD21 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -179.37 106.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -104.95 154.06 20.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.796 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.438 ' CD1' ' HB1' ' A' ' 53' ' ' ALA . 46.3 mt -138.22 142.28 35.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.092 0.472 . . . . 0.0 111.55 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.91 121.57 17.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.417 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.954 ' HB2' HD12 ' A' ' 84' ' ' ILE . 8.0 p90 -127.0 153.09 46.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.114 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -163.22 168.82 20.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.595 HD11 ' HB3' ' A' ' 46' ' ' MET . 21.3 mt -122.52 143.98 33.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.416 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 m -165.38 -171.52 2.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 2.2 m 68.0 119.41 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 36.8 Cg_exo -60.6 -15.6 37.78 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.469 2.113 . . . . 0.0 112.513 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 79' ' ' ILE . 14.7 mt -93.73 31.63 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.473 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 52.43 69.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.222 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -119.62 123.75 44.65 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.615 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD11 HG12 ' A' ' 75' ' ' ILE . 1.9 tp -92.53 122.76 35.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.973 0.416 . . . . 0.0 111.155 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.4 ' C ' HD13 ' A' ' 84' ' ' ILE . 13.5 p -108.32 101.4 10.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.541 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.954 HD12 ' HB2' ' A' ' 73' ' ' TYR . 4.5 mm -103.72 123.14 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 111.263 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.488 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -119.71 85.8 2.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CD1' HG12 ' A' ' 71' ' ' ILE . 7.4 tt -83.33 105.87 6.2 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.237 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 1.6 Cg_endo -83.59 118.09 2.46 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.118 2.545 . . . . 0.0 112.195 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.577 ' C ' HD12 ' A' ' 89' ' ' LEU . 8.9 t -149.82 171.85 16.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.095 0.474 . . . . 0.0 111.774 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.622 ' N ' HD12 ' A' ' 89' ' ' LEU . 4.6 mp -118.2 77.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.572 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.526 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 17.5 p90 -60.91 86.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.432 0.634 . . . . 0.0 110.938 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -178.88 -44.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.788 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.77 -50.6 10.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -57.68 -28.47 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 56.28 22.29 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.34 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.4 mmt -156.86 26.99 0.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.55 96.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 110.676 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -102.91 85.17 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 98' ' ' LEU . 4.5 pp -75.54 -17.8 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.484 ' N ' HD12 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -56.79 -20.77 24.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.394 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -70.62 -50.02 41.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.023 0.44 . . . . 0.0 110.149 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.882 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -58.1 -45.74 86.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.611 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.441 ' HA ' HD21 ' A' ' 105' ' ' LEU . 1.6 tt -64.03 -31.36 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.81 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.57 -40.84 73.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.882 HD12 ' HA ' ' A' ' 101' ' ' ALA . 6.7 mt -60.42 -49.29 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.14 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 106' ' ' HIS . 3.9 pp -71.12 -48.29 53.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.76 ' N ' HD12 ' A' ' 105' ' ' LEU . 56.5 t-80 -61.34 -52.01 66.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.261 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -58.35 -38.38 77.09 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.062 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -39.28 84.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.606 0.241 . . . . 0.0 110.97 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.806 ' O ' HD23 ' A' ' 109' ' ' LEU . 5.6 tt -81.37 -34.29 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.06 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.82 -16.86 49.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.611 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 112' ' ' TYR . 2.8 mm-40 -80.44 -64.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.554 0.216 . . . . 0.0 111.161 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.426 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -164.57 -67.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 113' ' ' VAL . 12.2 p 43.87 44.77 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.216 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.805 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.462 ' O ' ' CB ' ' A' ' 27' ' ' SER . 29.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.682 0.277 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 26' ' ' THR . 1.4 m 86.62 -27.47 0.08 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.512 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -131.51 115.67 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.784 ' HB3' HG23 ' A' ' 86' ' ' ILE . 1.8 tp-100 -124.43 137.42 54.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.601 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -136.22 126.61 26.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HB2' ' HB ' ' A' ' 84' ' ' ILE . 0.9 OUTLIER -95.32 133.81 38.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.438 179.645 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 pt -87.67 96.23 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.57 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.845 HD22 ' HG ' ' A' ' 82' ' ' LEU . 2.8 tt -112.34 159.91 18.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.695 ' N ' HD23 ' A' ' 33' ' ' LEU . 45.1 t -144.26 119.15 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.623 . . . . 0.0 111.413 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.92 HD12 HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -73.68 165.59 24.82 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.69 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.699 ' CB ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -92.34 169.59 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.075 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -80.92 -75.9 1.07 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.391 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -78.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.591 0.234 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD13 ' CB ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER 57.76 -168.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.879 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.26 176.04 9.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.06 0.457 . . . . 0.0 110.87 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.49 143.19 58.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 63.99 129.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.733 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.4 m -63.89 104.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -24.51 60.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.079 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.55 ' ND2' HD21 ' A' ' 33' ' ' LEU . 1.4 m120 -55.89 -53.9 51.16 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -54.45 -35.52 63.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.071 0.463 . . . . 0.0 110.759 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' HA ' HG22 ' A' ' 50' ' ' ILE . 3.6 ttpp -72.37 -24.83 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.65 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -36.84 67.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG21 HD11 ' A' ' 84' ' ' ILE . 16.4 t -73.0 -49.59 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.462 HG22 ' HA ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -58.13 -27.44 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.29 -45.1 34.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -76.08 -48.25 21.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -58.58 -28.54 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.998 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.36 -44.45 19.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.682 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -38.75 85.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.579 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 86.9 m-20 -70.17 -47.73 60.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.567 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 53' ' ' ALA . 10.4 mt -49.55 -59.4 3.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.72 -29.62 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -36.85 70.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.016 0.436 . . . . 0.0 110.507 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 8.3 m-85 -81.16 -33.09 33.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.492 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.526 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 5.8 t80 -68.54 -29.32 67.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.02 -27.12 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.3 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.33 -49.38 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.675 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.69 9.74 11.5 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 51.07 -179.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.883 0.373 . . . . 0.0 111.204 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 123.37 17.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -167.76 -54.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -159.14 -177.33 6.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.009 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 70.08 119.53 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.178 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HD2' HD21 ' A' ' 57' ' ' LEU . 1.7 mmmt -147.53 164.91 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.451 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.543 HD12 ' HG ' ' A' ' 57' ' ' LEU . 2.9 mp -136.32 136.25 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.314 0.578 . . . . 0.0 111.901 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -138.51 167.71 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.39 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.818 ' HB2' HD13 ' A' ' 84' ' ' ILE . 2.3 p90 -159.99 148.49 17.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 111.178 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -149.93 169.08 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.818 ' CG2' HD22 ' A' ' 82' ' ' LEU . 2.7 pp -135.35 151.29 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.805 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.459 ' C ' HG23 ' A' ' 77' ' ' THR . 44.4 m -164.78 -172.12 2.52 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 121.166 0.508 . . . . 0.0 111.086 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.459 HG23 ' C ' ' A' ' 76' ' ' SER . 1.4 p 69.23 140.93 0.07 OUTLIER Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.79 -36.66 83.15 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.479 2.119 . . . . 0.0 112.841 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -8.48 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.352 -0.386 . . . . 0.0 112.033 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.65 83.96 0.09 Allowed 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.205 0.526 . . . . 0.0 111.196 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -108.48 140.44 41.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.515 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.92 HD23 HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -101.43 93.74 5.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.382 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.66 110.81 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.083 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.818 HD13 ' HB2' ' A' ' 73' ' ' TYR . 5.5 mm -98.66 116.5 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.42 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -112.18 95.59 5.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.51 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.784 HG23 ' HB3' ' A' ' 29' ' ' GLN . 13.4 tt -103.31 102.5 29.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.076 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 15.0 Cg_exo -68.79 133.25 26.87 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.579 2.186 . . . . 0.0 112.181 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.7 t -171.81 134.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.956 0.408 . . . . 0.0 111.37 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 27' ' ' SER . 7.0 mp -94.67 -20.26 19.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.977 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 91' ' ' ASP . 1.4 t80 59.38 109.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.05 0.452 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 90' ' ' PHE . 27.1 t0 166.76 -43.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.247 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.23 -16.08 15.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.279 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' OD1' ' CE1' ' A' ' 60' ' ' TYR . 3.0 m-20 -50.8 -42.19 57.95 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.761 0.315 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.92 19.65 9.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.94 81.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.794 0.33 . . . . 0.0 110.768 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -59.66 105.01 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.5 mt -98.57 32.17 2.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.017 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.525 HD11 HG21 ' A' ' 86' ' ' ILE . 3.7 mm? -83.36 -30.6 27.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -62.65 -23.04 66.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.23 -32.23 55.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.966 0.412 . . . . 0.0 110.715 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.81 -30.36 51.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.449 ' HA ' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -77.58 -35.87 52.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.371 -179.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 103' ' ' LEU . 3.6 pp -76.51 -30.53 57.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.897 0.379 . . . . 0.0 111.162 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 103' ' ' LEU . 1.0 OUTLIER -75.02 -39.5 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.213 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.875 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.3 pp -70.77 -33.89 71.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.875 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -74.31 -43.71 55.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.656 0.597 . . . . 0.0 110.815 179.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.0 -46.96 85.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.841 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.76 -34.71 74.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.661 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.655 HD21 ' HB ' ' A' ' 34' ' ' VAL . 6.4 mt -68.87 -58.58 3.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -62.82 -30.24 71.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -22.24 52.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.4 ' O ' ' CG1' ' A' ' 113' ' ' VAL . 98.6 m-85 -137.06 -73.12 0.43 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 113' ' ' VAL . 7.5 p 42.25 57.65 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 120.869 0.366 . . . . 0.0 111.411 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.758 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.897 0.38 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.63 114.42 19.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 139.37 34.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.977 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.571 ' HB2' HG23 ' A' ' 86' ' ' ILE . 4.3 mm-40 -137.86 138.97 39.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -135.61 137.21 41.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.34 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.16 148.89 33.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.3 mm -85.5 128.54 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.948 HD23 HD22 ' A' ' 105' ' ' LEU . 2.6 mt -129.24 152.47 48.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.644 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.3 t -148.5 118.0 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.213 0.53 . . . . 0.0 111.552 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 170.22 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.783 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.97 111.83 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.64 -173.52 27.15 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.434 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -150.4 71.61 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.694 0.283 . . . . 0.0 110.882 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.544 HD23 ' H ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -117.25 -169.23 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.878 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' H ' HD23 ' A' ' 39' ' ' LEU . 1.4 p30 -120.49 -42.53 2.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.311 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.45 -173.77 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t60 62.71 94.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.058 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.1 p -94.3 96.75 9.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.89 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 -26.57 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.023 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -58.15 -63.17 1.35 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.049 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -31.7 72.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.668 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 50' ' ' ILE . 2.7 tptp -73.08 -26.73 61.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.536 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -73.07 -39.03 66.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.981 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.942 HG11 ' HB3' ' A' ' 73' ' ' TYR . 3.5 t -75.59 -44.29 40.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.484 HG22 ' HA ' ' A' ' 47' ' ' LYS . 1.1 tt -59.71 -33.65 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -73.68 -48.77 29.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.636 ' OD1' HG21 ' A' ' 104' ' ' ILE . 34.1 m120 -71.66 -49.61 38.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.03 -30.53 59.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.977 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -81.37 -44.02 18.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -39.46 83.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 50.7 m-20 -70.09 -54.75 11.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.575 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -48.42 -54.66 13.25 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.742 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -61.09 -29.17 69.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.666 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -58.15 -36.47 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.638 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.423 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 49.2 m-85 -78.73 -43.52 25.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.696 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CE2' ' CE1' ' A' ' 65' ' ' PHE . 7.7 t80 -70.34 -21.8 62.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -87.74 -23.06 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.73 -46.01 6.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.931 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 7.35 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CE1' ' CE2' ' A' ' 61' ' ' PHE . 1.1 t80 34.84 83.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.3 OUTLIER 175.17 -25.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.626 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER 37.84 91.99 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.077 0.465 . . . . 0.0 111.732 -179.629 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 93' ' ' ASN . 0.4 OUTLIER -95.66 41.92 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.173 -179.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 179.84 138.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.938 0.399 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.514 ' HA ' HD21 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -113.19 157.84 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.535 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.8 mt -123.76 141.44 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.292 0.568 . . . . 0.0 111.828 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -138.32 165.43 26.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.31 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.942 ' HB3' HG11 ' A' ' 49' ' ' VAL . 38.7 p90 -146.18 160.64 41.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.974 0.416 . . . . 0.0 111.486 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -147.12 126.33 12.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.742 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' CD1' ' A' ' 82' ' ' LEU . 1.1 tt -102.68 118.43 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.169 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.82 41.37 3.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.074 0.464 . . . . 0.0 110.499 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.523 ' HB ' ' HD3' ' A' ' 78' ' ' PRO . 51.7 m -65.54 -55.91 21.67 Favored Pre-proline 0 N--CA 1.453 -0.298 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' A' ' 77' ' ' THR . 37.3 Cg_endo -66.05 -25.49 51.4 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.292 1.995 . . . . 0.0 112.175 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mm -86.94 -34.43 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.007 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -176.46 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -137.03 170.46 16.06 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.264 0.554 . . . . 0.0 112.175 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.638 ' CD1' HD12 ' A' ' 75' ' ' ILE . 6.7 tp -97.58 114.02 25.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.249 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.1 p -125.63 133.68 52.14 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 111.462 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.897 HD11 HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -100.7 145.83 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -129.14 104.57 7.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.406 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.571 HG23 ' HB2' ' A' ' 29' ' ' GLN . 5.5 tt -102.34 103.87 33.78 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.779 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -81.27 110.41 2.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.999 2.466 . . . . 0.0 112.69 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 88' ' ' THR . 10.0 t -122.7 106.83 11.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.566 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tp -50.98 -31.39 17.8 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 t80 63.56 134.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.141 0.496 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.89 -61.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.719 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.47 31.12 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 13.0 p-10 -98.51 -34.65 10.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.062 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 60.83 66.35 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.8 ttt 65.46 96.55 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.745 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.71 -179.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.39 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.01 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.521 HD11 ' NE2' ' A' ' 29' ' ' GLN . 0.4 OUTLIER -74.75 -10.46 59.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.591 ' HA ' HD21 ' A' ' 102' ' ' LEU . 1.3 mtpt -55.69 -23.04 26.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.379 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.768 ' OE1' HD11 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.35 -51.87 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.995 0.426 . . . . 0.0 110.851 -179.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.17 -40.55 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.686 HD12 ' N ' ' A' ' 103' ' ' LEU . 4.4 pp -76.18 -39.33 55.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.776 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.686 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -70.56 -21.99 62.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.006 -179.732 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.768 HD11 ' OE1' ' A' ' 100' ' ' GLN . 16.1 mt -82.19 -43.39 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.042 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.948 HD22 HD23 ' A' ' 33' ' ' LEU . 3.7 pp -70.57 -29.34 65.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.425 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -75.8 -52.13 11.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -58.08 -37.14 73.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -69.77 -32.99 71.79 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.7 -33.77 46.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -31.5 71.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.43 -64.24 0.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.415 ' C ' HG12 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -178.62 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.532 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.608 ' O ' HG22 ' A' ' 113' ' ' VAL . 8.4 p 43.61 51.18 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.691 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.718 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.828 0.347 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -135.75 81.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.768 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -84.46 117.7 23.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG2' HD22 ' A' ' 98' ' ' LEU . 1.6 tp60 -118.99 143.29 47.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.692 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -132.61 131.03 40.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.343 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mp -102.41 141.28 35.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.679 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.1 mm -97.5 124.42 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.307 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.746 HD12 HG13 ' A' ' 84' ' ' ILE . 0.7 OUTLIER -118.16 160.97 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.812 179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.552 ' HB ' HD11 ' A' ' 109' ' ' LEU . 21.7 t -153.31 119.42 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.033 0.444 . . . . 0.0 111.092 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 45' ' ' ASN . 0.1 OUTLIER -115.62 88.11 2.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.706 -179.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -138.15 163.2 32.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.268 0.556 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.59 -43.43 1.67 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.828 -0.186 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.27 109.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 111.102 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.51 175.39 14.09 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mt -131.16 -61.11 0.94 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.764 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -60.03 -42.52 94.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.63 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.46 116.41 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.244 0.545 . . . . 0.0 111.161 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -78.8 -3.11 42.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.588 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.422 ' CG ' HD23 ' A' ' 35' ' ' LEU . 44.1 t30 -54.54 -45.82 73.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.934 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -45.94 84.71 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.625 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HA ' HG22 ' A' ' 50' ' ' ILE . 19.6 tttt -68.37 -23.67 64.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -71.4 -42.17 68.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.764 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.652 HG11 ' CD1' ' A' ' 84' ' ' ILE . 22.0 t -68.14 -50.0 62.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.924 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.4 tt -59.06 -29.92 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.741 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -75.7 -47.14 27.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.691 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.07 -45.76 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.81 ' O ' HD12 ' A' ' 57' ' ' LEU . . . -59.27 -30.25 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.769 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -78.5 -47.62 16.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.587 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -37.42 76.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.445 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' CD2' ' A' ' 60' ' ' TYR . 66.3 m-20 -66.71 -57.9 6.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.557 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.81 HD12 ' O ' ' A' ' 53' ' ' ALA . 1.7 mt -43.33 -55.59 3.99 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.174 0.511 . . . . 0.0 110.998 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.483 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 6.3 mt-10 -55.43 -36.91 67.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -26.18 66.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 93.0 m-85 -82.28 -51.58 7.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 58' ' ' GLU . 6.9 p90 -87.18 -30.1 21.27 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.936 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 17.9 tttt -87.55 -36.38 17.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -97.23 -28.44 14.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.652 0.263 . . . . 0.0 111.586 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.66 9.65 19.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.649 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 45.68 98.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.602 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.81 137.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -164.01 171.78 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -117.52 92.14 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -178.94 148.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.178 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -143.0 159.48 42.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.65 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 86' ' ' ILE . 32.1 mt -135.33 136.21 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.318 0.58 . . . . 0.0 111.88 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.38 168.12 20.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.151 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.935 ' HB2' HD13 ' A' ' 84' ' ' ILE . 1.6 p90 -160.08 159.48 31.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.968 0.413 . . . . 0.0 111.647 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -151.57 154.32 36.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 82' ' ' LEU . 5.9 mt -103.41 130.21 54.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.14 106.94 18.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.031 0.444 . . . . 0.0 110.621 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 64.96 141.66 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.354 0 CA-C-O 121.111 0.482 . . . . 0.0 110.481 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.538 ' HD2' HG22 ' A' ' 77' ' ' THR . 50.1 Cg_exo -53.17 -25.01 28.04 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.354 2.036 . . . . 0.0 112.354 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -158.16 82.34 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.952 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -157.21 -83.05 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.61 ' C ' HD22 ' A' ' 82' ' ' LEU . 38.4 m-85 -136.7 169.81 17.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.422 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.61 HD22 ' C ' ' A' ' 81' ' ' PHE . 2.8 mm? -120.32 133.07 55.52 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 123.48 0.487 . . . . 0.0 110.577 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.46 112.62 18.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.963 0.411 . . . . 0.0 111.448 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.935 HD13 ' HB2' ' A' ' 73' ' ' TYR . 4.4 mm -98.24 134.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.448 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.431 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 8.2 m-85 -127.19 90.12 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 111.195 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 29' ' ' GLN . 5.5 tt -91.7 106.5 17.21 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 2.0 Cg_endo -82.42 111.36 2.07 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.913 2.409 . . . . 0.0 112.462 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.1 t -129.76 146.86 51.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.926 0.393 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.676 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -112.08 85.85 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.1 OUTLIER -59.03 85.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.516 0.674 . . . . 0.0 111.276 -179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -145.96 24.3 1.33 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.019 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.55 -68.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.842 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -14.52 62.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.933 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 18.61 5.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.264 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 166.33 89.42 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.711 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.742 ' HB3' HD12 ' A' ' 98' ' ' LEU . 13.8 t0 -54.35 145.45 17.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.064 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.97 67.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -81.71 -12.4 58.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.277 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.462 ' O ' HD12 ' A' ' 103' ' ' LEU . 0.2 OUTLIER -55.95 -22.4 26.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.264 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.85 -58.91 3.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.962 0.411 . . . . 0.0 110.226 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.23 -42.8 66.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.739 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HA ' HD21 ' A' ' 105' ' ' LEU . 10.0 mt -62.77 -31.58 72.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.754 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 99' ' ' LYS . 0.2 OUTLIER -74.84 -40.57 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.7 mm -58.11 -52.48 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.185 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.552 ' HA ' HD21 ' A' ' 33' ' ' LEU . 3.6 pp -63.12 -42.5 99.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.985 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.477 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -63.44 -45.66 89.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.787 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -58.54 -29.48 66.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.714 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.89 -35.34 67.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.552 HD11 ' HB ' ' A' ' 34' ' ' VAL . 3.0 mt -90.41 -27.1 19.52 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.192 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.53 -7.21 54.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.308 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -50.5 -64.42 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.038 0.446 . . . . 0.0 111.025 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 113' ' ' VAL . 0.3 OUTLIER 179.54 -68.29 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.085 179.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.595 ' O ' HG22 ' A' ' 113' ' ' VAL . 14.5 p 44.15 39.22 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.372 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 110.724 -179.727 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.511 ' CB ' HD11 ' A' ' 89' ' ' LEU . 2.1 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -121.6 -174.28 2.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.73 166.95 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.676 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -139.38 143.77 37.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.374 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -127.71 125.13 39.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.033 0.444 . . . . 0.0 111.488 -179.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 98' ' ' LEU . 5.4 mp -113.7 148.23 36.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.752 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 pp -113.22 142.13 26.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.872 HD11 HG13 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -133.37 158.79 42.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.732 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.4 t -153.9 120.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.314 0.578 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.1 135.64 47.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.038 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.77 124.8 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.132 0.491 . . . . 0.0 110.939 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.95 -56.81 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.44 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.3 -61.71 1.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.817 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 11.9 mt -156.86 164.36 38.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -78.83 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.734 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.96 -174.02 0.05 OUTLIER 'General case' 0 C--O 1.241 0.607 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -62.27 81.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.038 0.447 . . . . 0.0 110.903 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -56.52 132.97 52.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.982 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -81.94 -3.44 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.432 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.445 ' OD1' HD22 ' A' ' 33' ' ' LEU . 1.6 t-20 -54.84 -52.96 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.474 ' HB3' HG21 ' A' ' 75' ' ' ILE . 26.0 ptm -58.62 -45.41 89.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.721 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.521 ' HA ' HG22 ' A' ' 50' ' ' ILE . 11.4 mttp -70.87 -20.9 62.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.547 ' HB3' HG23 ' A' ' 104' ' ' ILE . 1.2 m120 -74.66 -35.39 62.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.86 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 84' ' ' ILE . 21.8 t -76.63 -43.35 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.3 tt -61.73 -35.73 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.726 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -74.21 -44.54 52.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.563 ' CB ' HD11 ' A' ' 104' ' ' ILE . 4.9 m-80 -71.99 -46.92 55.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.737 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.669 ' HB1' HG21 ' A' ' 71' ' ' ILE . . . -57.36 -31.03 65.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.893 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.99 -45.68 15.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.599 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -60.88 -34.37 74.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.42 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 72.7 m-20 -72.29 -49.61 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.451 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 53' ' ' ALA . 7.1 mt -49.31 -59.19 3.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.39 -25.6 66.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.678 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.84 -32.09 71.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.638 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 56' ' ' ASN . 5.2 m-85 -86.31 -35.59 19.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.686 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 1.5 t80 -75.98 -32.7 59.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.107 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -88.15 -39.24 14.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.571 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -89.81 -52.31 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.947 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -100.23 9.5 42.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.084 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 8.2 t80 58.0 133.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.022 0.439 . . . . 0.0 111.382 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER 63.61 139.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.12 150.31 28.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -142.17 -46.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' OD2' HG21 ' A' ' 88' ' ' THR . 6.8 t70 -60.03 116.02 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -107.35 157.01 18.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.256 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.707 HD12 HD12 ' A' ' 86' ' ' ILE . 9.6 tt -139.9 144.35 28.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.068 0.461 . . . . 0.0 111.86 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -129.39 117.05 19.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.442 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.644 ' CB ' HG11 ' A' ' 49' ' ' VAL . 27.1 p90 -121.05 153.83 36.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.588 -178.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -151.32 153.07 34.09 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -124.3 141.53 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.935 0.397 . . . . 0.0 111.532 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.77 104.86 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.424 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.448 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -75.6 -50.33 3.45 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.895 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 77' ' ' THR . 80.3 Cg_exo -48.07 -32.88 19.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.273 1.982 . . . . 0.0 112.471 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.7 mm -102.91 -14.7 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 64.99 30.35 11.86 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 111.101 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.51 ' C ' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -121.6 146.98 46.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.747 179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.714 ' HB3' HD13 ' A' ' 33' ' ' LEU . 3.3 mm? -110.24 118.39 36.21 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.2 m -108.71 133.33 52.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.872 HG13 HD11 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -133.82 126.84 51.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.067 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.482 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -129.41 92.74 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.151 179.472 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.707 HD12 HD12 ' A' ' 71' ' ' ILE . 11.5 tt -86.16 105.49 7.6 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.888 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 4.1 Cg_endo -86.73 115.47 1.25 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.924 2.416 . . . . 0.0 111.85 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.406 HG21 ' OD2' ' A' ' 69' ' ' ASP . 4.9 t -152.67 178.8 9.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.033 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.511 HD11 ' CB ' ' A' ' 26' ' ' THR . 3.0 mp -123.34 100.06 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 29.8 p90 -69.05 87.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.278 0.561 . . . . 0.0 110.802 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -172.16 -68.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 2.4 mtp -62.17 -28.96 70.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -56.78 -36.58 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 54.95 23.63 5.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.3 mtp 175.84 78.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -77.31 143.81 38.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 tp -145.03 72.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.153 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -73.26 -10.46 59.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.723 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -20.36 44.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.411 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -72.48 -48.41 41.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.992 0.425 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.782 ' HA ' HD12 ' A' ' 104' ' ' ILE . . . -62.63 -46.75 86.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.618 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.423 ' HG ' HD21 ' A' ' 31' ' ' LEU . 4.3 mt -59.5 -29.97 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.493 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -30.01 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.384 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 101' ' ' ALA . 26.4 mt -70.12 -49.38 55.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.98 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.68 ' HA ' HD23 ' A' ' 33' ' ' LEU . 3.2 pp -70.52 -32.63 70.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -69.49 -46.67 66.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -69.67 -31.06 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.01 -32.21 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 105' ' ' LEU . 4.1 pp -99.98 -23.48 14.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -69.47 -6.64 31.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.778 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.69 1.45 14.58 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 111.944 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -167.08 -68.93 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.745 HG22 ' H ' ' A' ' 114' ' ' GLU . 9.5 p 35.53 -133.72 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.941 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.745 ' H ' HG22 ' A' ' 113' ' ' VAL . 25.3 tt0 . . . . . 0 C--N 1.323 -0.57 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.793 0.33 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p 77.27 -59.15 0.48 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 126.41 54.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.653 ' HB2' HG23 ' A' ' 86' ' ' ILE . 5.9 mt-30 -134.1 143.39 47.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.44 137.07 41.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.222 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD12 HG21 ' A' ' 84' ' ' ILE . 3.8 mt -105.04 133.74 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.751 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.61 107.82 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.194 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.804 HD13 HG13 ' A' ' 84' ' ' ILE . 5.4 mp -120.53 138.78 53.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.507 HG12 ' H ' ' A' ' 35' ' ' LEU . 2.3 t -102.98 -137.37 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.972 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.507 ' H ' HG12 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -140.16 131.54 26.8 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.613 0.244 . . . . 0.0 110.794 -179.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' N ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -74.22 -66.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.659 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.54 -135.72 4.39 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.395 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 63.29 130.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.03 39.25 1.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.56 148.89 37.34 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.133 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.61 157.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -68.06 -53.04 28.53 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 m -145.06 107.67 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.605 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.39 -27.39 22.8 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.778 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.745 ' HB3' HD13 ' A' ' 82' ' ' LEU . 7.3 m120 -56.99 -49.83 74.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -46.54 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.013 0.435 . . . . 0.0 110.889 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.832 ' HA ' HD12 ' A' ' 50' ' ' ILE . 8.2 tttp -61.82 -27.94 69.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.201 0.524 . . . . 0.0 110.391 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.63 -40.76 96.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.687 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.905 HG11 ' HB3' ' A' ' 73' ' ' TYR . 24.5 t -71.28 -34.62 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 47' ' ' LYS . 45.9 mt -61.16 -40.35 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -73.53 -45.2 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.438 ' CG ' HD13 ' A' ' 104' ' ' ILE . 27.1 m120 -71.67 -56.52 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.961 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.68 -28.91 23.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -79.28 -40.34 30.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -60.54 -41.87 95.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.481 ' OD1' HD11 ' A' ' 97' ' ' LEU . 29.4 m-20 -69.58 -48.56 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.82 HD12 ' OE2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -52.24 -57.55 9.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.831 179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -28.36 69.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.786 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.58 72.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.968 0.413 . . . . 0.0 110.335 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.554 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 24.3 m-85 -76.73 -42.76 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.329 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 65' ' ' PHE . 7.1 t80 -64.68 -28.13 69.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -87.61 -23.83 24.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.725 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -41.28 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -108.92 9.6 26.57 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 61' ' ' PHE . 0.2 OUTLIER 39.8 32.78 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 111.605 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -141.89 -44.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.03 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.82 ' OE2' HD12 ' A' ' 57' ' ' LEU . 8.4 tt0 71.47 105.66 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.59 174.98 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.789 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 60.2 170.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -145.1 158.58 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.054 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.517 HG23 ' HB ' ' A' ' 86' ' ' ILE . 17.1 mt -131.97 146.39 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.078 0.466 . . . . 0.0 111.359 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.32 168.19 20.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.249 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.905 ' HB3' HG11 ' A' ' 49' ' ' VAL . 5.9 p90 -158.72 152.81 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.661 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -158.48 168.99 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.164 0.507 . . . . 0.0 111.034 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 76' ' ' SER . 4.3 mt -128.53 158.41 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.734 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 75' ' ' ILE . 83.8 p -165.7 -172.22 2.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 111.064 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 p 62.04 150.76 0.1 Allowed Pre-proline 0 C--O 1.238 0.476 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.36 -19.28 22.35 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.064 2.509 . . . . 0.0 112.955 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 79' ' ' ILE . 21.1 mm -89.92 13.25 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.961 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.7 85.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 111.181 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -111.52 127.99 55.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.408 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' A' ' 45' ' ' ASN . 16.9 tp -92.47 95.31 9.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.476 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 90.3 m -97.75 102.08 13.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.399 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.804 HG13 HD13 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -86.81 138.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.799 -179.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' A' ' 87' ' ' PRO . 77.3 m-85 -129.25 94.26 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.839 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' A' ' 29' ' ' GLN . 9.5 tt -95.36 105.7 21.69 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.555 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 85' ' ' PHE . 3.7 Cg_exo -76.28 111.28 3.23 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.588 2.192 . . . . 0.0 111.779 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.9 m -153.42 140.32 19.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.153 0.501 . . . . 0.0 111.149 -179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 mp -96.99 -13.36 22.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.328 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 94' ' ' ASN . 11.5 t80 63.72 128.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.071 0.462 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.59 -54.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.404 ' O ' ' CB ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -74.14 118.52 17.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.953 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 92' ' ' MET . 0.1 OUTLIER 79.58 -13.65 0.94 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.899 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 90' ' ' PHE . 33.2 m-80 52.11 52.74 13.75 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.868 0.366 . . . . 0.0 111.202 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -174.89 -43.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 57.44 23.59 9.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.554 HD21 ' CZ ' ' A' ' 60' ' ' TYR . 0.5 OUTLIER 41.68 46.49 3.23 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.686 179.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -23.21 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.58 ' HA ' HD21 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -58.31 -20.5 43.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.341 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -78.42 -50.6 11.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.435 ' HB1' HD13 ' A' ' 31' ' ' LEU . . . -54.61 -47.83 72.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.986 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 99' ' ' LYS . 4.0 pp -70.83 -23.95 62.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.73 -40.38 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.201 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.438 HD13 ' CG ' ' A' ' 52' ' ' ASN . 7.4 pt -67.28 -32.53 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.609 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.8 HD12 ' N ' ' A' ' 106' ' ' HIS . 4.7 pp -80.69 -39.74 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.782 0.325 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.8 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.6 t-80 -73.68 -50.81 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.27 -51.69 67.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -57.23 -31.57 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.424 HD22 HG23 ' A' ' 34' ' ' VAL . 8.4 tp -100.31 -0.4 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.709 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.99 -73.09 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 O-C-N 122.229 -0.294 . . . . 0.0 111.332 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.66 -65.79 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.993 0.425 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 164.73 -38.34 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.067 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 113' ' ' VAL . 14.4 p -75.93 124.32 33.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.199 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.4 . . . . 0.0 110.746 179.794 . . . . . . . . 1 1 . 1 stop_ save_