data_1aj3_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 1aj3 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 10' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.822 0.344 . . . . 4.8200000000000003 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.67 ' NE2' ' H ' ' A' ' 11' ' ' GLN . 2.4 mp0 -58.99 -55.57 33.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 4.4699999999999998 110.251 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 20.1 t80 -50.39 -47.35 56.4 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.79 -0.448 . . . . 1.29 109.79 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.83 -54.15 42.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.305 -0.628 . . . . 3.2799999999999998 109.305 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.529 ' NH2' ' HB3' ' A' ' 17' ' ' ASP . 3.1 tpm_? -50.79 -55.63 15.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 5.04 110.207 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.29 -51.13 47.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.892 0.377 . . . . 2.1000000000000001 110.115 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -50.7 60.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.173 0.511 . . . . 2.7200000000000002 110.025 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' NH2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -53.24 -56.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 2.46 110.173 179.016 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -53.47 -36.5 61.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.974 0.416 . . . . 2.4900000000000002 110.245 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.6 tt0 -63.56 -59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 3.0699999999999998 109.607 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' CB ' HH22 ' A' ' 87' ' ' ARG . 9.1 tp10 -45.49 -42.49 10.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.629 -0.878 . . . . 2.5 108.629 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.34 56.0 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 2.1200000000000001 109.241 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 11.2 t90 -50.74 -41.08 56.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.879 -0.6 . . . . 2.8799999999999999 110.532 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -57.11 -48.86 81.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.991 0.424 . . . . 2.46 109.93 179.163 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 14.1 mmtm -60.11 -45.43 93.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.467 . . . . 3.8999999999999999 109.835 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -37.4 83.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 3.4500000000000002 110.315 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -61.84 -55.5 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.69 -0.687 . . . . 3.25 109.224 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -41.64 63.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.07 0.462 . . . . 3.9900000000000002 110.232 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.65 -45.1 81.8 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.018 -0.537 . . . . 3.6299999999999999 110.829 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.03 -49.01 72.65 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.029 0.443 . . . . 3.6499999999999999 110.014 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.58 -36.64 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 2.8599999999999999 110.608 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -24.13 58.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 3.1200000000000001 111.38 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -81.09 -44.0 18.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.062 0.393 . . . . 3.25 112.062 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 112.4 0.519 . . . . 4.3700000000000001 112.4 -178.301 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.795 0.331 . . . . 4.7400000000000002 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 19.3 t-20 -69.67 -41.62 75.24 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.011 -0.541 . . . . 4.1299999999999999 110.148 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.62 -50.21 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.35 -0.611 . . . . 4.5999999999999996 109.35 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -56.56 -45.2 81.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 6.1799999999999997 110.825 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -65.68 -37.68 87.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.758 0.313 . . . . 4.71 110.192 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -60.45 -49.27 78.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 4.54 109.856 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.45 ' CD2' ' HZ2' ' A' ' 50' ' ' LYS . 17.8 t60 -49.69 -55.46 13.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 4.0 110.514 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HZ2' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -50.04 -48.97 52.54 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.333 -0.394 . . . . 3.6099999999999999 110.81 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -65.23 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 4.8099999999999996 110.405 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.23 -48.13 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 3.3700000000000001 110.525 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.94 -52.45 64.09 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.953 -0.299 . . . . 3.1699999999999999 110.243 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.5 75.13 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.041 0.448 . . . . 1.79 109.915 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -52.31 -56.88 11.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.566 -0.743 . . . . 2.6000000000000001 110.553 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -40.86 14.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.946 -0.57 . . . . 3.1200000000000001 111.656 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.35 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 1.78 110.889 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.06 -26.35 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 1.8100000000000001 112.079 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.616 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 2.7 m80 -76.32 -24.12 54.31 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.818 -0.173 . . . . 3.2599999999999998 111.183 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -65.21 -61.02 6.69 Favored Pre-proline 0 C--N 1.331 -0.208 0 N-CA-C 110.108 -0.33 . . . . 3.0099999999999998 110.108 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 52.5 Cg_exo -56.07 -39.92 88.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.394 2.063 . . . . 1.97 111.834 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.68 -57.64 11.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.916 -0.583 . . . . 1.72 111.386 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.607 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 3.4 mt -62.4 -45.49 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 1.8500000000000001 110.907 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.51 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 4.1100000000000003 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.18 -50.89 12.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 1.54 111.893 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.505 HG11 ' N ' ' A' ' 67' ' ' LEU . 1.1 t -61.32 -47.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.067 0.46 . . . . 2.0699999999999998 109.977 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.505 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -50.0 -52.11 36.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 2.7999999999999998 110.581 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.55 -49.22 75.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.354 -0.385 . . . . 2.2400000000000002 110.125 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -53.1 -48.49 67.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.346 -0.388 . . . . 1.54 110.159 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.06 73.76 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.564 -0.827 . . . . 1.05 111.507 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -42.5 65.69 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.424 -0.584 . . . . 3.6699999999999999 109.424 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -54.43 46.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.814 -0.63 . . . . 4.1299999999999999 109.616 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' CD2' ' CD2' ' A' ' 12' ' ' PHE . 8.3 mp -43.88 -44.96 7.28 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.841 -0.618 . . . . 2.1000000000000001 110.051 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -57.64 9.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.737 -0.665 . . . . 2.0899999999999999 110.58 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -25.57 66.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 2.3399999999999999 111.364 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.57 -13.18 30.08 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.544 0.572 . . . . 2.8900000000000001 112.544 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -153.1 -59.0 0.14 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.386 0.513 . . . . 5.0999999999999996 112.386 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 70.85 -70.33 0.16 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.404 0.44 . . . . 5.3099999999999996 110.464 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.9 mt -57.72 93.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.054 0 CA-C-N 115.89 -0.595 . . . . 4.9100000000000001 110.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.94 -61.59 0.66 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.651 -0.979 . . . . 3.2000000000000002 110.651 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -32.5 8.85 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.679 0.276 . . . . 4.7199999999999998 110.922 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.13 -41.11 12.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.696 0.284 . . . . 3.23 110.95 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HG3' ' H ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -62.28 -43.36 99.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.956 0.407 . . . . 2.9399999999999999 110.578 179.534 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.448 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 17.7 mt -60.13 -42.27 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 3.0 109.892 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.15 -48.42 53.84 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.646 -0.502 . . . . 3.7999999999999998 109.646 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -53.02 -50.1 64.92 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.13 -0.486 . . . . 3.8799999999999999 110.015 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.459 HH22 ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -58.96 -46.85 87.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 5.25 109.893 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.42 -29.61 67.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.925 -0.579 . . . . 2.5299999999999998 109.982 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.15 -32.86 62.44 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.844 -0.428 . . . . 1.5600000000000001 109.844 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' A' ' 94' ' ' HIS . 0.9 OUTLIER -65.34 -43.92 89.39 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.423 -0.584 . . . . 3.3700000000000001 109.423 178.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.607 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 7.8 t80 -52.21 -54.04 35.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.51 -0.768 . . . . 1.71 110.219 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.7 t -57.27 -49.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.745 -0.661 . . . . 1.8799999999999999 110.071 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -49.45 61.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.544 . . . . 1.71 110.549 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.447 ' CG ' ' NE2' ' A' ' 90' ' ' GLN . 0.1 OUTLIER -55.6 -53.79 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 3.2000000000000002 110.339 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -55.52 -43.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 3.6600000000000001 110.262 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -52.03 50.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 3.3199999999999998 110.399 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -47.04 82.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.145 0.498 . . . . 3.0299999999999998 110.273 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.771 -0.65 . . . . 2.8900000000000001 110.488 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -52.07 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 4.4800000000000004 110.313 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.47 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -53.4 -47.87 69.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 4.0999999999999996 110.604 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.47 ' N ' ' HG2' ' A' ' 100' ' ' GLN . 0.6 OUTLIER -57.85 -49.61 76.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.505 -0.316 . . . . 3.0800000000000001 110.6 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.93 77.89 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.347 -0.388 . . . . 2.2400000000000002 110.866 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.35 76.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 2.5600000000000001 110.663 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.46 72.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 2.7599999999999998 110.32 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -53.38 -48.86 68.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 5.0999999999999996 110.775 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.63 89.57 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.896 -0.668 . . . . 3.27 112.333 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.625 0.25 . . . . 4.4100000000000001 111.024 179.874 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.743 0.306 . . . . 4.8200000000000003 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.66 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -61.11 -38.69 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.928 -0.397 . . . . 4.4699999999999998 109.928 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 68.4 t80 -51.08 -49.22 61.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.29 110.055 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CZ ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -49.11 -53.37 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 3.2799999999999998 110.534 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.19 86.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.312 -0.404 . . . . 5.04 110.432 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.66 ' OD2' ' O ' ' A' ' 11' ' ' GLN . 14.5 m-20 -55.65 -45.82 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 2.1000000000000001 110.288 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.478 ' SD ' ' HG2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.07 -54.24 42.11 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.729 -0.471 . . . . 2.7200000000000002 109.729 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.54 -51.58 64.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.882 -0.599 . . . . 2.46 109.693 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.05 -45.46 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 2.4900000000000002 110.437 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.439 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 5.7 tp10 -64.73 -60.24 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.744 -0.465 . . . . 3.0699999999999998 109.744 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.4 -33.33 5.85 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.156 0.503 . . . . 2.5 109.788 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -42.41 91.63 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.888 -0.596 . . . . 2.1200000000000001 109.793 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.638 ' CE3' ' NE2' ' A' ' 59' ' ' HIS . 20.2 t90 -47.84 -47.65 31.34 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.001 -0.74 . . . . 2.8799999999999999 109.001 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' N ' ' CE3' ' A' ' 22' ' ' TRP . 27.2 mt -49.88 -56.25 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 N-CA-C 109.081 -0.711 . . . . 2.46 109.081 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -48.03 -46.83 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.294 -0.866 . . . . 3.8999999999999999 111.186 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.33 -51.46 69.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 3.4500000000000002 111.232 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -41.42 99.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 3.25 110.034 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -46.09 66.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.876 0.37 . . . . 3.9900000000000002 110.167 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -56.35 -45.6 80.36 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.284 -0.416 . . . . 3.6299999999999999 110.329 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -44.86 88.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.064 -0.516 . . . . 3.6499999999999999 110.474 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.8 t -54.33 -42.4 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.8599999999999999 110.078 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -39.1 71.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.7 -0.682 . . . . 3.1200000000000001 110.314 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -66.28 -57.34 7.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.708 -0.678 . . . . 3.25 110.061 179.238 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 32' ' ' SER . 11.6 mm-40 . . . . . 0 N--CA 1.47 0.537 0 O-C-N 124.618 1.199 . . . . 4.3700000000000001 110.151 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 N-CA-C 111.568 0.21 . . . . 4.7400000000000002 111.568 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -65.1 -35.62 81.7 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.815 -0.354 . . . . 4.1299999999999999 110.584 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.51 -53.0 58.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.641 -0.504 . . . . 4.5999999999999996 109.641 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -52.04 -40.52 61.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.014 -0.539 . . . . 6.1799999999999997 110.603 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.99 -45.34 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 4.71 110.63 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -36.75 84.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 4.54 110.326 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.2 -53.49 52.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 4.0 110.59 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -41.71 77.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.288 -0.415 . . . . 3.6099999999999999 110.966 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.63 -46.92 77.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 4.8099999999999996 110.137 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.33 -46.18 83.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 3.3700000000000001 110.681 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.59 -51.42 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.377 -0.374 . . . . 3.1699999999999999 110.976 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.62 95.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 1.79 110.104 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 1.6 tp10 -58.09 -53.63 56.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 2.6000000000000001 111.47 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -61.83 -37.94 86.34 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.926 0.343 . . . . 3.1200000000000001 111.926 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' N ' ' HG ' ' A' ' 56' ' ' LEU . . . -58.93 -47.85 83.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.475 -0.33 . . . . 1.78 111.856 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.6 -35.5 39.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.605 0.594 . . . . 1.8100000000000001 112.605 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.638 ' NE2' ' CE3' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -66.03 -33.62 76.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.935 0.717 . . . . 3.2599999999999998 112.935 -178.264 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.564 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -59.87 -62.98 4.79 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 119.655 -0.818 . . . . 3.0099999999999998 110.16 -179.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 27.9 Cg_exo -63.43 -41.96 23.92 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.201 1.934 . . . . 1.97 112.33 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.25 -55.59 30.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.931 -0.577 . . . . 1.72 112.51 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 63' ' ' ILE . 65.8 mt -68.08 -45.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.708 -0.224 . . . . 1.8500000000000001 111.069 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -53.29 -51.98 60.56 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.884 -0.413 . . . . 4.1100000000000003 109.884 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.9 -45.54 19.18 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.664 -0.779 . . . . 1.54 111.485 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.6 t -57.15 -57.97 7.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.018 0.437 . . . . 2.0699999999999998 110.009 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -50.19 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 2.7999999999999998 110.347 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.48 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 2.2400000000000002 110.744 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 m -56.3 -46.03 79.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 1.54 110.144 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.67 -45.81 54.36 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.809 -0.71 . . . . 1.05 111.962 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -43.47 74.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.088 0.471 . . . . 3.6699999999999999 109.86 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -62.15 -49.9 74.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.896 -0.593 . . . . 4.1299999999999999 109.653 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.444 ' CD2' ' CD2' ' A' ' 12' ' ' PHE . 3.8 mp -46.19 -40.54 11.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.758 -0.655 . . . . 2.1000000000000001 110.383 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.467 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . 2.6 m -58.76 -53.3 59.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 2.0899999999999999 110.944 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -34.92 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 2.3399999999999999 111.238 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -73.67 -37.21 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 2.8900000000000001 111.593 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 80' ' ' GLY . 6.1 t30 -84.05 157.58 21.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.149 0.499 . . . . 5.0999999999999996 111.998 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 p -79.81 -66.09 0.92 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.666 -0.697 . . . . 5.3099999999999996 111.163 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.0 pt -123.7 -49.67 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.247 -0.433 . . . . 4.9100000000000001 111.692 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' N ' ' ND2' ' A' ' 77' ' ' ASN . . . -31.22 -32.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 114.512 0.565 . . . . 3.2000000000000002 114.512 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.43 -32.34 7.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.914 0.357 . . . . 4.7199999999999998 111.944 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.41 -49.96 53.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.311 . . . . 3.23 110.625 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.6 -48.46 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 2.9399999999999999 110.034 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.7 mm -54.35 -46.06 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 3.0 110.555 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -48.3 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 3.7999999999999998 110.799 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -59.98 -44.56 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.376 . . . . 3.8799999999999999 110.142 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.478 ' HG2' ' SD ' ' A' ' 16' ' ' MET . 20.6 ttp85 -59.48 -51.7 68.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 5.25 110.82 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.24 -44.33 88.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 2.5299999999999998 110.245 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.12 74.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 1.5600000000000001 110.249 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.48 -47.28 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 3.3700000000000001 109.686 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 3.9 t80 -49.07 -50.88 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.669 -0.696 . . . . 1.71 110.168 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.5 t -53.53 -56.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.8799999999999999 110.458 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.753 ' C ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.85 -49.27 49.74 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.846 -0.427 . . . . 1.71 109.846 179.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.587 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 31.2 m170 -52.08 -58.34 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 3.2000000000000002 110.752 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -54.14 -40.51 67.48 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.473 -0.33 . . . . 3.6600000000000001 110.946 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -56.38 -49.66 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 3.3199999999999998 110.791 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 96' ' ' LYS . 3.9 mm-40 -63.17 -39.51 94.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 3.0299999999999998 110.378 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.8 -45.42 89.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.613 . . . . 2.8900000000000001 110.353 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.34 -52.34 65.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 4.4800000000000004 109.957 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.434 HE22 ' HG3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -53.13 -53.18 54.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 4.0999999999999996 110.369 178.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.92 -48.11 64.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.375 -0.375 . . . . 3.0800000000000001 110.776 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.11 -46.9 78.96 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.242 -0.435 . . . . 2.2400000000000002 110.838 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 2.5600000000000001 110.588 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 2.7599999999999998 110.682 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -49.75 -44.44 48.6 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.799 -0.445 . . . . 5.0999999999999996 109.799 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.59 -37.63 95.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 110.772 -0.931 . . . . 3.27 110.772 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 121.174 0.511 . . . . 4.4100000000000001 109.63 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.58 0.229 . . . . 4.8200000000000003 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.7 -45.62 81.69 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.152 -0.314 . . . . 4.4699999999999998 110.152 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -50.47 -48.01 56.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.86 0.362 . . . . 1.29 110.073 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -48.1 74.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.656 -0.498 . . . . 3.2799999999999998 109.656 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -57.25 -50.35 73.16 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.009 -0.541 . . . . 5.04 110.095 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.17 -50.48 61.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.961 0.41 . . . . 2.1000000000000001 110.033 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -54.5 -56.33 19.9 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.987 -0.551 . . . . 2.7200000000000002 110.636 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.45 -41.17 76.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.107 -0.497 . . . . 2.46 110.264 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -54.73 -46.37 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 2.4900000000000002 110.068 179.319 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 6.7 mt-10 -57.38 -60.25 3.92 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.642 -0.503 . . . . 3.0699999999999998 109.642 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -45.73 -45.39 14.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.663 -0.495 . . . . 2.5 109.663 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.64 -47.49 40.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 2.1200000000000001 110.81 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 49.0 t90 -45.72 -45.57 14.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.683 -0.235 . . . . 2.8799999999999999 111.505 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.2 -53.79 26.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.88 0.371 . . . . 2.46 110.528 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -55.45 -47.75 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.571 . . . . 3.8999999999999999 111.081 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -37.05 85.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.042 -0.526 . . . . 3.4500000000000002 110.721 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -50.49 67.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 3.25 109.842 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.53 -47.89 19.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.74 -0.467 . . . . 3.9900000000000002 109.74 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.75 -42.2 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.839 -0.618 . . . . 3.6299999999999999 110.286 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.61 -37.44 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.751 -0.659 . . . . 3.6499999999999999 110.934 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.41 -40.14 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 2.8599999999999999 110.945 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 p -74.16 -24.71 59.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 3.1200000000000001 111.452 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 11.7 p -77.99 -44.79 25.61 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.448 -0.342 . . . . 3.25 111.329 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 32' ' ' SER . 3.0 mm-40 . . . . . 0 N--CA 1.465 0.324 0 CA-C-N 115.914 -0.584 . . . . 4.3700000000000001 111.327 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.985 0.422 . . . . 4.7400000000000002 110.299 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -68.02 -44.32 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 4.1299999999999999 110.134 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.44 -54.35 44.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 4.5999999999999996 109.862 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -50.89 -42.02 58.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.995 -0.548 . . . . 6.1799999999999997 111.106 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -44.09 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 4.71 110.386 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.22 95.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 4.54 110.389 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.541 ' CE1' HH21 ' A' ' 105' ' ' ARG . 7.3 t-80 -59.2 -55.55 33.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 4.0 110.542 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -37.32 73.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.04 -0.527 . . . . 3.6099999999999999 110.514 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -61.4 -48.32 81.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 4.8099999999999996 110.225 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.49 -53.52 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 3.3700000000000001 110.407 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.91 -48.72 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 3.1699999999999999 111.165 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.49 96.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.063 0.458 . . . . 1.79 110.435 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.44 -55.21 37.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 2.6000000000000001 110.536 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.37 -41.62 63.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.378 -0.374 . . . . 3.1200000000000001 111.373 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -51.2 64.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 1.78 110.976 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -28.36 69.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.8100000000000001 112.036 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 6.0 m-70 -68.81 -47.13 66.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 119.571 -0.252 . . . . 3.2599999999999998 111.013 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -38.87 -61.97 0.83 Allowed Pre-proline 0 N--CA 1.463 0.19 0 C-N-CA 120.904 -0.318 . . . . 3.0099999999999998 110.265 -179.493 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.473 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 74.2 Cg_exo -42.56 -46.97 7.88 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.152 1.901 . . . . 1.97 112.285 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.55 -23.64 42.69 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.243 0.46 . . . . 1.72 112.243 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 59' ' ' HIS . 1.2 mm -72.59 -48.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.648 . . . . 1.8500000000000001 109.252 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.1 -42.74 99.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.795 -0.817 . . . . 4.1100000000000003 108.795 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.52 -49.06 11.78 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.839 -0.619 . . . . 1.54 112.141 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -55.94 -51.8 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.085 0 CA-C-N 117.09 0.445 . . . . 2.0699999999999998 110.101 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.491 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 2.6 tm? -55.52 -51.31 67.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.839 -0.43 . . . . 2.7999999999999998 109.839 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -52.09 27.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.906 -0.588 . . . . 2.2400000000000002 110.465 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.5 m -60.4 -49.15 78.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.588 -0.523 . . . . 1.54 109.588 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.47 -39.27 29.22 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.911 -0.876 . . . . 1.05 110.911 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.58 -44.28 96.71 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.448 -0.575 . . . . 3.6699999999999999 109.448 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -59.14 -38.12 78.9 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.943 -0.762 . . . . 4.1299999999999999 108.943 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.8 -42.9 97.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.625 -1.17 . . . . 2.1000000000000001 109.965 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 t -64.45 -38.8 92.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.48 -0.782 . . . . 2.0899999999999999 112.083 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -39.22 -60.83 0.85 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.564 0.209 . . . . 2.3399999999999999 111.564 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -37.18 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 2.8900000000000001 110.639 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.567 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.9 OUTLIER -77.24 68.27 3.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.122 0.487 . . . . 5.0999999999999996 110.218 179.425 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -58.1 -73.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 5.3099999999999996 111.031 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 pt -94.83 118.74 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 4.9100000000000001 111.171 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.14 -32.87 3.17 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.131 -0.557 . . . . 3.2000000000000002 111.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -53.68 -21.29 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.062 0.393 . . . . 4.7199999999999998 112.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.92 -44.94 1.76 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.687 0.28 . . . . 3.23 111.259 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.64 -52.83 63.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.359 -0.382 . . . . 2.9399999999999999 110.385 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.2 mt -56.79 -45.51 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 3.0 110.18 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.66 74.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 3.7999999999999998 110.146 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' A' ' 86' ' ' GLN . 0.7 OUTLIER -58.05 -49.67 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 3.8799999999999999 110.064 178.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -57.31 -51.27 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 5.25 111.052 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -39.52 90.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 2.5299999999999998 110.562 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -32.71 73.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 1.5600000000000001 110.441 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -49.79 66.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.715 -0.675 . . . . 3.3700000000000001 109.837 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 34.7 t80 -56.63 -49.76 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.787 -0.642 . . . . 1.71 109.779 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.19 -51.14 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.8799999999999999 110.344 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.93 -53.62 46.75 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.681 -0.489 . . . . 1.71 109.681 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -49.08 -55.67 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 3.2000000000000002 110.286 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -53.23 -48.28 68.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.68 -0.691 . . . . 3.6600000000000001 110.447 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.525 -0.762 . . . . 3.3199999999999998 110.808 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 96' ' ' LYS . 1.5 tt0 -58.18 -49.61 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 3.0299999999999998 110.707 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.76 -46.72 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 2.8900000000000001 110.471 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -59.42 -47.1 86.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 4.4800000000000004 110.117 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -55.19 -52.68 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.957 -0.565 . . . . 4.0999999999999996 110.503 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.44 -48.16 74.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.367 -0.379 . . . . 3.0800000000000001 110.5 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.16 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.458 . . . . 2.2400000000000002 111.243 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.05 94.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 2.5600000000000001 110.959 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.89 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 2.7599999999999998 110.5 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.541 HH21 ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -56.9 -50.65 71.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 5.0999999999999996 110.551 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.22 91.8 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.831 -0.7 . . . . 3.27 112.633 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 4.4100000000000001 110.686 -179.805 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.418 ' CD2' ' H ' ' A' ' 11' ' ' GLN . 4.4 p-80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.506 0.193 . . . . 4.8200000000000003 111.409 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 3.7 pt20 -61.31 -34.88 75.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.732 -0.387 . . . . 4.4699999999999998 110.041 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -51.5 -50.63 59.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.408 -0.36 . . . . 1.29 110.2 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.772 -0.371 . . . . 3.2799999999999998 110.369 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -52.72 64.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.305 -0.407 . . . . 5.04 110.52 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 1.005 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 2.3 m-20 -55.43 -45.58 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 2.1000000000000001 109.999 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.418 ' SD ' ' NH2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.02 -52.88 59.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 2.7200000000000002 110.026 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -52.06 -55.02 23.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.083 -0.508 . . . . 2.46 110.482 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.005 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 4.3 p30 -53.06 -41.93 65.31 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.167 0.508 . . . . 2.4900000000000002 109.753 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.614 ' HG3' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tp10 -60.98 -60.94 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 3.0699999999999998 110.05 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.971 ' OE2' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.54 -35.84 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.371 -0.603 . . . . 2.5 109.371 177.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 24.5 m -63.64 -37.45 87.39 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.953 -0.567 . . . . 2.1200000000000001 109.656 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.921 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -44.71 -44.82 9.44 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.1 -0.333 . . . . 2.8799999999999999 110.1 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.736 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -57.18 -51.28 71.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.325 -0.398 . . . . 2.46 110.485 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -53.56 -46.79 70.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.415 -0.357 . . . . 3.8999999999999999 111.002 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.94 -45.91 91.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 3.4500000000000002 110.625 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -61.79 -48.71 79.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 3.25 110.95 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -60.01 -38.44 82.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.477 -0.329 . . . . 3.9900000000000002 110.664 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.26 -40.64 86.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.888 0.375 . . . . 3.6299999999999999 110.139 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -48.98 77.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.876 -0.602 . . . . 3.6499999999999999 110.749 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 t -58.16 -37.89 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 2.8599999999999999 111.04 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -80.28 -22.24 41.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.548 . . . . 3.1200000000000001 111.662 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -76.85 -51.44 11.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 3.25 111.085 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.493 ' CD ' HH12 ' A' ' 105' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.988 -0.551 . . . . 4.3700000000000001 110.415 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.783 0.325 . . . . 4.7400000000000002 110.678 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -65.92 -48.57 70.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 4.1299999999999999 110.12 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.2 -49.89 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 4.5999999999999996 109.902 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.87 62.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.15 -0.477 . . . . 6.1799999999999997 110.495 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -61.75 -46.17 90.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.297 -0.41 . . . . 4.71 110.179 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.81 -49.15 74.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.535 . . . . 4.54 110.021 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -50.01 -54.16 21.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.935 -0.575 . . . . 4.0 110.483 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -44.24 62.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 3.6099999999999999 110.408 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HE ' ' CD ' ' A' ' 55' ' ' GLU . 4.0 tpt180 -59.16 -41.55 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.082 -0.508 . . . . 4.8099999999999996 110.213 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.04 -50.45 68.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 3.3700000000000001 109.927 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -49.87 -44.49 49.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.1699999999999999 110.497 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.61 56.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.219 -0.446 . . . . 1.79 110.475 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' CD ' ' HE ' ' A' ' 51' ' ' ARG . 31.9 mt-10 -54.94 -47.43 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 2.6000000000000001 110.515 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -53.66 -44.85 69.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.875 -0.602 . . . . 3.1200000000000001 111.141 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 1.78 111.297 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.09 40.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 1.8100000000000001 111.163 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.921 ' CE1' ' CD2' ' A' ' 22' ' ' TRP . 36.6 t60 -75.69 -21.12 57.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.031 -0.532 . . . . 3.2599999999999998 111.159 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.518 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -66.8 -61.76 4.61 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.478 -0.564 . . . . 3.0099999999999998 109.478 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 54.0 Cg_exo -52.69 -41.81 66.75 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.336 2.024 . . . . 1.97 111.459 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.73 66.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.669 -0.696 . . . . 1.72 111.408 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.74 HD13 ' CE1' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -55.84 -52.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 1.8500000000000001 110.115 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -54.51 -51.79 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 4.1100000000000003 110.337 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.63 28.89 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.769 -0.729 . . . . 1.54 111.926 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.5 t -57.22 -54.81 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 CA-C-O 120.985 0.421 . . . . 2.0699999999999998 110.313 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.81 -50.2 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 2.7999999999999998 110.884 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.13 -48.61 75.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.622 -0.263 . . . . 2.2400000000000002 110.882 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 m -58.94 -50.92 72.23 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.172 -0.307 . . . . 1.54 110.172 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.01 69.22 Favored Glycine 0 C--N 1.336 0.58 0 C-N-CA 120.213 -0.994 . . . . 1.05 110.9 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -34.17 76.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.085 0.469 . . . . 3.6699999999999999 109.92 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -51.82 68.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.998 -0.547 . . . . 4.1299999999999999 110.342 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -36.88 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 2.1000000000000001 110.422 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.466 ' HA ' ' HG3' ' A' ' 81' ' ' LYS . 19.7 m -63.18 -46.48 86.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.783 -0.644 . . . . 2.0899999999999999 111.361 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -60.49 -34.52 74.17 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.617 -0.433 . . . . 2.3399999999999999 109.846 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -71.74 -32.74 68.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 2.8900000000000001 109.925 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 79.01 37.86 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.458 -0.792 . . . . 5.0999999999999996 110.639 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 p -74.49 143.18 44.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 5.3099999999999996 110.825 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.38 113.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . 4.9100000000000001 110.669 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.84 -21.34 5.6 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.167 -0.539 . . . . 3.2000000000000002 111.811 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' HG3' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.26 -45.38 34.37 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 111.493 0.182 . . . . 4.7199999999999998 111.493 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -55.0 -56.48 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 3.23 110.917 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.95 -46.02 74.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 2.9399999999999999 110.229 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.6 -48.85 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 3.0 110.947 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.62 -43.75 76.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 3.7999999999999998 110.515 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -49.55 76.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.994 0.426 . . . . 3.8799999999999999 109.917 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH2' ' SD ' ' A' ' 16' ' ' MET . 8.7 mtp180 -58.28 -50.45 73.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.907 -0.588 . . . . 5.25 110.472 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -43.41 74.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.05 -0.523 . . . . 2.5299999999999998 110.509 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.48 77.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 1.5600000000000001 110.439 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -47.86 83.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 3.3700000000000001 109.852 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.971 ' CD1' ' OE2' ' A' ' 20' ' ' GLU . 81.4 t80 -52.94 -50.57 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 1.71 110.393 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.24 -52.77 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.48 -0.327 . . . . 1.8799999999999999 110.345 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.887 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -49.56 -52.96 26.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.278 -0.419 . . . . 1.71 110.113 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.887 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 12.2 m-70 -54.5 -56.98 13.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.791 -0.448 . . . . 3.2000000000000002 109.791 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.482 ' NE1' ' HD2' ' A' ' 59' ' ' HIS . 6.9 t90 -44.66 -43.65 8.46 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 3.6600000000000001 111.496 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -53.3 -53.52 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 3.3199999999999998 110.786 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.534 ' HG2' ' N ' ' A' ' 98' ' ' LEU . 1.9 pt-20 -56.67 -43.6 80.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.459 -0.337 . . . . 3.0299999999999998 111.102 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.534 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -62.41 -45.86 91.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 2.8900000000000001 110.856 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.442 ' NZ ' ' CH2' ' A' ' 95' ' ' TRP . 2.0 tttp -59.0 -45.2 91.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.634 -0.506 . . . . 4.4800000000000004 109.634 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.4 -55.25 37.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.142 -0.481 . . . . 4.0999999999999996 109.841 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -47.61 -49.24 27.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.211 -0.449 . . . . 3.0800000000000001 110.498 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -52.18 39.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.963 0.411 . . . . 2.2400000000000002 110.548 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.69 68.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.059 -0.519 . . . . 2.5600000000000001 110.5 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.89 65.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.965 -0.561 . . . . 2.7599999999999998 110.445 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.493 HH12 ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -52.48 -50.59 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 5.0999999999999996 110.166 179.348 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.21 -41.51 70.5 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 3.27 112.192 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 4.4100000000000001 110.579 179.524 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.457 0.17 . . . . 4.8200000000000003 110.694 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -42.98 95.04 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.701 -0.481 . . . . 4.4699999999999998 109.701 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -49.42 -53.73 21.23 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.508 -0.552 . . . . 1.29 109.508 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -52.58 -45.11 66.32 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.72 -0.474 . . . . 3.2799999999999998 109.72 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 1.023 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.28 -53.49 55.45 Favored 'General case' 0 C--N 1.334 -0.08 0 N-CA-C 109.739 -0.467 . . . . 5.04 109.739 178.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.836 ' HA ' ' CG ' ' A' ' 18' ' ' ASP . 3.1 m-20 -52.81 -48.38 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.538 -0.541 . . . . 2.1000000000000001 109.538 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.6 mtp -51.32 -56.6 12.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.075 -0.511 . . . . 2.7200000000000002 110.217 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -53.86 -46.91 71.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.134 -0.485 . . . . 2.46 110.002 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.023 ' OD2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -50.86 -48.11 60.24 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.544 -0.539 . . . . 2.4900000000000002 109.544 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 3.9 tp10 -60.82 -57.97 10.43 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.02 -0.733 . . . . 3.0699999999999998 109.02 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.51 -38.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.58 -0.737 . . . . 2.5 109.999 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -44.95 95.8 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.022 -0.536 . . . . 2.1200000000000001 110.106 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.608 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 18.2 t90 -48.97 -45.38 42.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.171 -0.468 . . . . 2.8799999999999999 109.883 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.58 -60.02 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.98 0.419 . . . . 2.46 110.089 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -42.11 63.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 3.8999999999999999 110.951 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.62 -49.54 77.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 3.4500000000000002 111.072 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.92 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.36 . . . . 3.25 110.194 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -53.75 -41.64 67.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.92 -0.4 . . . . 3.9900000000000002 109.92 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -38.26 85.35 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.107 -0.497 . . . . 3.6299999999999999 109.945 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.08 -45.67 86.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.011 -0.541 . . . . 3.6499999999999999 110.083 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -51.46 -50.79 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 2.8599999999999999 109.881 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -37.59 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 3.1200000000000001 110.291 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.8 m -61.65 -49.92 74.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.862 -0.608 . . . . 3.25 110.611 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.421 . . . . 4.3700000000000001 110.587 179.615 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.69 0.281 . . . . 4.7400000000000002 110.524 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.402 ' HA ' ' HZ1' ' A' ' 47' ' ' LYS . 11.0 t-20 -59.63 -39.12 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 4.1299999999999999 110.305 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -64.33 -55.91 18.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.068 -0.515 . . . . 4.5999999999999996 109.644 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -52.44 -31.86 36.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.773 -0.649 . . . . 6.1799999999999997 109.967 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HZ1' ' HA ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -63.52 -53.99 43.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 4.71 110.244 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -59.16 -38.54 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 4.54 109.801 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -55.52 33.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 4.0 110.477 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.9 70.02 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.336 -0.393 . . . . 3.6099999999999999 110.614 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' NH2' ' OE2' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -60.31 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 4.8099999999999996 109.989 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.03 -43.69 98.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 3.3700000000000001 110.234 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.46 79.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.082 -0.508 . . . . 3.1699999999999999 110.475 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.46 95.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.082 0.468 . . . . 1.79 109.786 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.723 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -55.12 -54.98 36.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 2.6000000000000001 110.652 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.26 -41.36 96.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.981 -0.554 . . . . 3.1200000000000001 112.234 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.18 -52.36 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.929 0.395 . . . . 1.78 111.426 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -30.85 37.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.526 . . . . 1.8100000000000001 112.076 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.608 ' CE1' ' CD2' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -68.07 -25.86 65.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 112.842 0.682 . . . . 3.2599999999999998 112.842 -178.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.575 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -63.03 -62.97 4.68 Favored Pre-proline 0 C--N 1.322 -0.621 0 C-N-CA 118.94 -1.104 . . . . 3.0099999999999998 108.993 179.302 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.575 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.2 Cg_exo -63.08 -36.54 58.2 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.114 1.876 . . . . 1.97 112.64 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -54.2 8.51 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.641 0.608 . . . . 1.72 112.641 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 59' ' ' HIS . 3.1 mm -63.7 -46.96 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.386 -0.37 . . . . 1.8500000000000001 110.847 -179.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -49.18 78.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.737 -0.468 . . . . 4.1100000000000003 109.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.64 -52.85 14.22 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.085 -0.578 . . . . 1.54 112.599 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 117.205 0.503 . . . . 2.0699999999999998 110.295 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.47 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -53.84 -50.75 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 2.7999999999999998 111.129 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.94 -47.53 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 2.2400000000000002 110.84 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.6 m -59.18 -51.65 69.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.423 -0.353 . . . . 1.54 110.091 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.82 82.85 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.473 -0.87 . . . . 1.05 111.637 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -46.64 65.33 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.979 -0.378 . . . . 3.6699999999999999 109.979 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -55.61 -58.22 8.7 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.038 -0.528 . . . . 4.1299999999999999 110.167 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.3 mp -45.04 -38.5 4.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 2.1000000000000001 111.008 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -32.53 72.95 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.345 0.868 . . . . 2.0899999999999999 113.345 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -51.42 -24.03 4.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.357 0.502 . . . . 2.3399999999999999 112.357 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 145.57 -37.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.889 0.476 . . . . 2.8900000000000001 110.868 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -56.74 152.0 13.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.576 . . . . 5.0999999999999996 111.345 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m 64.26 108.83 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.771 -0.649 . . . . 5.3099999999999996 111.561 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.41 146.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.143 -0.48 . . . . 4.9100000000000001 110.479 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.556 ' O ' ' OE1' ' A' ' 83' ' ' GLU . . . 91.64 -2.01 76.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 3.2000000000000002 111.886 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -42.26 -45.21 4.09 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 122.1 0.16 . . . . 4.7199999999999998 111.374 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -52.4 -57.58 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 3.23 110.941 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -53.38 -47.0 69.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.065 0.459 . . . . 2.9399999999999999 109.823 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.08 -46.3 84.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 3.0 110.175 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.78 -44.44 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.755 -0.657 . . . . 3.7999999999999998 110.436 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.57 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 3.8799999999999999 109.849 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -47.5 76.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.867 -0.606 . . . . 5.25 110.634 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.8 tp -57.91 -46.35 85.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 2.5299999999999998 110.151 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.23 70.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.914 -0.585 . . . . 1.5600000000000001 110.213 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.47 -47.24 73.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.572 -0.74 . . . . 3.3700000000000001 109.903 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 7.6 t80 -54.22 -47.92 71.63 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.148 -0.478 . . . . 1.71 109.748 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.0 t -53.62 -53.03 28.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.27 -0.423 . . . . 1.8799999999999999 109.928 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -50.54 58.64 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.536 -0.542 . . . . 1.71 109.536 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -51.43 -58.4 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.798 -0.637 . . . . 3.2000000000000002 110.085 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.46 ' NE1' ' HD2' ' A' ' 59' ' ' HIS . 10.7 t90 -52.32 -43.85 64.76 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.184 -0.462 . . . . 3.6600000000000001 110.834 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -51.84 59.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 3.3199999999999998 110.461 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.84 -47.51 82.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 3.0299999999999998 110.442 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.3 mt -56.87 -45.07 82.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 2.8900000000000001 111.027 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -57.28 -49.63 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 4.4800000000000004 110.073 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -59.72 -50.49 73.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.897 0.379 . . . . 4.0999999999999996 110.12 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.5 tp -51.87 -46.07 64.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 3.0800000000000001 110.527 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.54 -52.22 60.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 2.2400000000000002 110.794 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.79 65.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.137 -0.483 . . . . 2.5600000000000001 110.876 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.83 87.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 2.7599999999999998 110.832 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -42.11 75.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 5.0999999999999996 110.326 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.39 98.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.004 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.785 0.326 . . . . 4.4100000000000001 110.316 179.643 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.491 ' ND1' ' N ' ' A' ' 11' ' ' GLN . 20.6 p80 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 111.809 0.3 . . . . 4.8200000000000003 111.809 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.491 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 1.2 mm100 -64.27 -37.48 87.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 4.4699999999999998 110.496 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -57.17 -44.83 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.034 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -51.97 67.02 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.837 -0.431 . . . . 3.2799999999999998 109.837 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' NH1' ' HA ' ' A' ' 15' ' ' ASP . 5.2 tmm_? -55.71 -49.07 74.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.04 -0.527 . . . . 5.04 109.714 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 2.2 m-20 -50.35 -54.13 23.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 2.1000000000000001 110.578 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.1 ttp -54.13 -52.36 61.32 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.869 0.366 . . . . 2.7200000000000002 110.451 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -54.49 -44.95 73.11 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.582 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.48 -46.66 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.532 -0.304 . . . . 2.4900000000000002 110.871 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' OE2' ' CZ ' ' A' ' 91' ' ' PHE . 2.6 tm-20 -66.42 -57.8 6.64 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.174 -0.676 . . . . 3.0699999999999998 109.174 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 1.31 ' OE1' ' HB2' ' A' ' 91' ' ' PHE . 1.1 tp10 -47.56 -36.2 10.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.955 -0.566 . . . . 2.5 109.808 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.448 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -65.71 -46.5 78.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.811 -0.631 . . . . 2.1200000000000001 109.832 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CD1' ' OE2' ' A' ' 25' ' ' GLU . 19.3 t90 -52.72 -42.2 64.65 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.174 -0.467 . . . . 2.8799999999999999 109.783 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mt -49.32 -56.61 2.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.021 0.438 . . . . 2.46 110.362 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 12.3 mtmm -50.21 -52.14 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 3.8999999999999999 111.186 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.804 ' OE2' ' CD1' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -54.83 -46.35 74.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.373 . . . . 3.4500000000000002 111.353 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.657 ' N ' ' HG2' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -63.28 -47.92 80.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.879 -0.328 . . . . 3.25 110.684 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -41.34 43.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.078 0.466 . . . . 3.9900000000000002 109.934 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.68 -38.26 83.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 3.6299999999999999 110.12 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -44.53 96.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.646 -0.706 . . . . 3.6499999999999999 110.995 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -60.14 -45.21 96.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 2.8599999999999999 110.754 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.412 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 17.4 m -53.03 -34.46 56.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.12 -0.491 . . . . 3.1200000000000001 110.635 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 m -80.29 -49.12 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 3.25 110.679 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.82 ' HA ' ' OE1' ' A' ' 33' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.116 0 CA-C-N 116.138 -0.483 . . . . 4.3700000000000001 110.736 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 C--O 1.231 0.123 0 N-CA-C 111.738 0.273 . . . . 4.7400000000000002 111.738 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -69.63 -32.78 71.68 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.047 -0.353 . . . . 4.1299999999999999 110.047 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.7 -57.4 9.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.393 -0.367 . . . . 4.5999999999999996 110.289 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -39.2 76.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.915 -0.314 . . . . 6.1799999999999997 111.215 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -64.57 -47.93 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 4.71 110.089 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -62.01 -40.82 96.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 4.54 110.081 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.91 71.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 4.0 110.236 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -52.15 -41.58 62.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.824 0.345 . . . . 3.6099999999999999 110.344 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.424 HH11 ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.25 -42.64 88.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 4.8099999999999996 109.876 179.053 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.34 -49.65 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 3.3700000000000001 110.447 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.75 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 3.1699999999999999 110.489 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.36 92.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 1.79 110.156 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.19 -56.33 22.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.597 -0.729 . . . . 2.6000000000000001 110.602 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.02 -40.34 66.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 3.1200000000000001 111.616 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.05 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 1.78 111.19 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.39 -29.79 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.63 0.604 . . . . 1.8100000000000001 112.63 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 32.3 m-70 -68.33 -49.29 61.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.828 -0.349 . . . . 3.2599999999999998 110.895 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 3.4 tp10 -38.81 -60.93 1.0 Allowed Pre-proline 0 N--CA 1.463 0.225 0 O-C-N 123.243 0.339 . . . . 3.0099999999999998 110.685 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 71.5 Cg_exo -38.81 -47.75 2.74 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.839 1.693 . . . . 1.97 111.86 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.47 -28.59 37.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.942 -0.572 . . . . 1.72 112.151 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.512 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 1.3 mm -65.33 -45.6 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.175 -0.676 . . . . 1.8500000000000001 109.175 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -73.8 -41.13 62.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.244 -1.021 . . . . 4.1100000000000003 108.244 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.83 -41.17 35.54 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.32 -0.855 . . . . 1.54 111.505 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.18 -57.85 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 109.488 -0.56 . . . . 2.0699999999999998 109.488 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.97 -49.12 60.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 2.7999999999999998 110.19 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.03 -51.55 63.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 2.2400000000000002 110.716 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 m -56.48 -50.61 71.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.609 -0.515 . . . . 1.54 109.609 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.0 46.64 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 120.415 -0.897 . . . . 1.05 111.213 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -39.14 80.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.638 -0.504 . . . . 3.6699999999999999 109.638 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -48.93 79.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.565 . . . . 4.1299999999999999 109.759 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mp -52.31 -43.39 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 2.1000000000000001 109.779 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.6 t -54.65 -49.35 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 2.0899999999999999 112.482 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -40.19 96.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.663 0.616 . . . . 2.3399999999999999 112.663 -177.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.15 -27.98 38.95 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.651 -0.42 . . . . 2.8900000000000001 111.954 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.5 152.98 12.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.894 0.378 . . . . 5.0999999999999996 111.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -127.95 34.79 4.55 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.221 -0.445 . . . . 5.3099999999999996 111.195 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.9 mt -92.01 59.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.037 0.446 . . . . 4.9100000000000001 110.312 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.565 ' HA2' ' OE2' ' A' ' 83' ' ' GLU . . . 135.61 -8.24 4.28 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.867 -0.606 . . . . 3.2000000000000002 112.043 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.01 -59.31 3.2 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.681 0.277 . . . . 4.7199999999999998 110.96 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.42 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -40.14 -59.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 3.23 111.345 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.565 ' OE2' ' HA2' ' A' ' 80' ' ' GLY . 0.3 OUTLIER -54.48 -47.4 73.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.027 0.442 . . . . 2.9399999999999999 110.443 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.1 mm -55.92 -44.82 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 3.0 110.502 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -49.67 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 3.7999999999999998 110.733 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -55.1 -51.16 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.254 -0.43 . . . . 3.8799999999999999 110.362 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.09 78.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 5.25 110.627 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.4 tp -55.75 -37.9 69.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 2.5299999999999998 110.626 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 1.5600000000000001 110.604 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.39 -45.64 75.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 3.3700000000000001 109.855 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 1.31 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 27.9 t80 -55.72 -50.35 70.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.686 -0.688 . . . . 1.71 110.376 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.84 -50.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 1.8799999999999999 110.212 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.13 -50.0 62.59 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.409 -0.36 . . . . 1.71 110.209 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -52.48 -55.33 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 3.2000000000000002 109.884 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -51.12 -48.71 61.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.809 -0.632 . . . . 3.6600000000000001 110.038 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -52.96 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.429 -0.805 . . . . 3.3199999999999998 111.189 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.6 -42.99 84.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.801 0.334 . . . . 3.0299999999999998 110.388 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -59.23 -48.7 80.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 2.8900000000000001 110.278 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -57.49 -48.93 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.635 . . . . 4.4800000000000004 110.228 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 4.0999999999999996 110.326 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.33 -46.98 73.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.266 -0.425 . . . . 3.0800000000000001 109.985 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.05 -51.09 59.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 2.2400000000000002 110.491 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.29 -50.98 61.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.027 -0.533 . . . . 2.5600000000000001 110.621 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.87 79.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.968 -0.56 . . . . 2.7599999999999998 110.236 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -41.04 82.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 5.0999999999999996 110.218 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.22 -39.22 63.64 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.9 -0.667 . . . . 3.27 111.927 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 120.945 0.402 . . . . 4.4100000000000001 109.999 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.5 t60 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.562 0.22 . . . . 4.8200000000000003 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.87 -46.86 84.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.32 0.581 . . . . 4.4699999999999998 109.604 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -48.51 -42.98 34.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.666 -0.697 . . . . 1.29 110.612 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.82 -50.51 66.0 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.934 -0.395 . . . . 3.2799999999999998 109.934 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -47.68 85.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.53 -0.545 . . . . 5.04 109.53 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.63 -49.24 38.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 2.1000000000000001 110.769 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.545 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 13.3 mtm -59.16 -52.28 66.37 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.091 0.472 . . . . 2.7200000000000002 110.178 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -54.23 -43.79 71.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.038 -0.356 . . . . 2.46 110.038 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -46.44 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 2.4900000000000002 110.959 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 16' ' ' MET . 16.9 pt-20 -65.09 -53.39 46.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.625 -0.509 . . . . 3.0699999999999998 109.625 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -47.96 -43.43 29.35 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.447 -0.575 . . . . 2.5 109.447 177.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.451 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 2.3 t -59.64 -50.41 73.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.18 -0.464 . . . . 2.1200000000000001 109.892 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 31.0 t90 -50.35 -45.82 55.3 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 110.065 -0.346 . . . . 2.8799999999999999 110.065 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -49.31 -58.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 120.806 0.336 . . . . 2.46 110.184 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 21' ' ' SER . 8.0 mtmp? -49.15 -49.91 40.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 3.8999999999999999 110.975 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.63 -47.91 75.83 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.968 -0.56 . . . . 3.4500000000000002 111.33 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.86 -45.16 90.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.998 -0.371 . . . . 3.25 109.998 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -48.83 -42.3 35.75 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.664 -0.495 . . . . 3.9900000000000002 109.664 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.12 -43.8 82.67 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.01 -0.541 . . . . 3.6299999999999999 110.012 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.9 mt -55.31 -43.52 74.92 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.026 -0.534 . . . . 3.6499999999999999 110.304 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 t -53.96 -39.08 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.971 0.415 . . . . 2.8599999999999999 110.009 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -27.49 65.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.603 -0.726 . . . . 3.1200000000000001 110.918 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.7 ' OG ' ' OE2' ' A' ' 33' ' ' GLU . 4.5 p -80.86 -35.27 32.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 3.25 110.982 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.7 ' OE2' ' OG ' ' A' ' 32' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 CA-C-N 115.899 -0.592 . . . . 4.3700000000000001 111.938 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.727 0.299 . . . . 4.7400000000000002 110.849 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -64.96 -32.49 74.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 4.1299999999999999 110.306 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 9.7 tp -65.22 -60.57 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 4.5999999999999996 110.111 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 6.1799999999999997 110.075 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -50.5 67.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.711 -0.677 . . . . 4.71 110.368 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -59.4 -43.96 92.89 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.467 -0.568 . . . . 4.54 109.467 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 2.2 m-70 -51.01 -53.96 28.76 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.8 -0.636 . . . . 4.0 110.827 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -49.06 -46.36 44.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.879 0.371 . . . . 3.6099999999999999 110.827 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -67.91 -34.31 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 4.8099999999999996 110.435 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.0 -42.45 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 3.3700000000000001 110.358 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.716 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -56.15 -51.5 67.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.032 -0.358 . . . . 3.1699999999999999 110.032 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.49 74.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.216 0.532 . . . . 1.79 109.82 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 22.5 mt-10 -52.24 -53.46 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.376 -0.829 . . . . 2.6000000000000001 110.499 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.44 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 32.0 tp -51.23 -44.72 61.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.998 -0.546 . . . . 3.1200000000000001 111.176 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.73 23.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 1.78 111.524 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -35.28 29.72 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.506 0.558 . . . . 1.8100000000000001 112.506 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.619 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 50.0 m80 -62.49 -31.07 71.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.554 0.216 . . . . 3.2599999999999998 111.506 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -61.5 -65.34 2.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 C-N-CA 119.623 -0.831 . . . . 3.0099999999999998 110.414 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.1 Cg_exo -59.14 -40.07 73.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.621 1.547 . . . . 1.97 113.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.75 -50.95 12.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.952 0.723 . . . . 1.72 112.952 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.465 HG13 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -76.78 -39.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.147 0.425 . . . . 1.8500000000000001 112.147 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 97.0 mt-30 -66.18 -48.16 71.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 120.251 -0.58 . . . . 4.1100000000000003 109.969 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.58 -49.38 8.66 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.535 -0.84 . . . . 1.54 112.014 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -62.28 -57.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.808 0.299 . . . . 2.0699999999999998 111.808 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -53.32 -43.35 67.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.091 -0.244 . . . . 2.7999999999999998 111.224 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.54 -50.38 73.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.637 -0.256 . . . . 2.2400000000000002 110.982 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 m -62.47 -48.41 79.73 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.908 -0.405 . . . . 1.54 109.908 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.84 -43.09 60.47 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.478 -0.868 . . . . 1.05 111.331 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -61.66 -37.93 85.88 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 110.065 -0.346 . . . . 3.6699999999999999 110.065 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.046 -0.524 . . . . 4.1299999999999999 110.25 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.88 -42.25 79.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.122 0.487 . . . . 2.1000000000000001 109.792 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 m -60.97 -48.55 81.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.58 -0.736 . . . . 2.0899999999999999 111.121 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -51.49 -41.23 60.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.882 0.372 . . . . 2.3399999999999999 110.511 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.574 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 3.2 m-20 -76.88 -32.14 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.862 -0.608 . . . . 2.8900000000000001 110.11 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.3 t30 77.29 59.6 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.697 -0.683 . . . . 5.0999999999999996 111.101 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 133.12 44.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 5.3099999999999996 110.359 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.41 96.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 4.9100000000000001 110.401 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.92 -16.41 4.23 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.91 -0.586 . . . . 3.2000000000000002 112.095 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -42.61 -41.1 2.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.622 0.248 . . . . 4.7199999999999998 111.502 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -52.43 -53.41 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.379 . . . . 3.23 110.488 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -45.15 85.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.141 0.496 . . . . 2.9399999999999999 109.806 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 52.3 mt -53.21 -45.95 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 3.0 110.358 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -51.56 -49.23 62.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 3.7999999999999998 109.919 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -55.62 -48.84 74.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.326 -0.397 . . . . 3.8799999999999999 110.113 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -54.68 -51.06 66.68 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.073 -0.512 . . . . 5.25 110.417 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.16 -35.49 75.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 2.5299999999999998 109.928 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.01 64.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.001 -0.545 . . . . 1.5600000000000001 110.95 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.68 -48.92 62.7 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.314 -0.403 . . . . 3.3700000000000001 109.947 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 3.7 t80 -53.78 -46.89 71.16 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.119 -0.697 . . . . 1.71 109.119 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.31 -54.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.739 -0.664 . . . . 1.8799999999999999 110.421 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.956 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.98 -48.53 43.24 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 109.573 -0.528 . . . . 1.71 109.573 179.068 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.956 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -52.02 -59.57 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.522 -0.547 . . . . 3.2000000000000002 109.522 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.499 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 22.3 t90 -45.69 -46.61 14.91 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.864 -0.607 . . . . 3.6600000000000001 109.853 178.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.458 ' CB ' ' HZ1' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -49.11 -51.35 32.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.411 -0.813 . . . . 3.3199999999999998 110.676 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.705 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -54.21 -48.75 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 3.0299999999999998 110.552 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.92 -45.51 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 2.8900000000000001 110.277 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -56.68 -51.81 67.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.001 -0.545 . . . . 4.4800000000000004 109.782 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.456 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.72 -52.89 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 4.0999999999999996 110.136 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mp -51.09 -48.16 61.73 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.264 -0.425 . . . . 3.0800000000000001 110.611 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.16 66.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.24 -0.436 . . . . 2.2400000000000002 110.883 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.98 98.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 2.5600000000000001 110.774 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.65 82.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 2.7599999999999998 110.926 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -59.7 -47.74 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 5.0999999999999996 110.986 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.91 92.68 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.713 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.768 0.318 . . . . 4.4100000000000001 111.176 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 t60 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.494 0.188 . . . . 4.8200000000000003 111.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -60.5 -49.5 77.29 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.907 -0.405 . . . . 4.4699999999999998 109.907 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -50.94 -32.92 22.35 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 109.396 -0.594 . . . . 1.29 109.396 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.92 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -52.76 -46.84 67.69 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.504 -0.925 . . . . 3.2799999999999998 108.504 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.714 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 3.5 tpt180 -59.87 -48.43 81.72 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.196 -1.039 . . . . 5.04 108.196 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -51.41 -42.26 61.34 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.805 -0.634 . . . . 2.1000000000000001 109.928 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.483 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.8 -56.22 19.46 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.357 -0.609 . . . . 2.7200000000000002 109.357 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.06 -47.21 71.89 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.664 -0.865 . . . . 2.46 108.664 177.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 99.7 m-20 -51.01 -41.25 59.66 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.794 -0.447 . . . . 2.4900000000000002 109.794 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HG2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -55.0 -66.97 0.31 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.491 0.662 . . . . 3.0699999999999998 109.367 178.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -49.68 -35.12 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.714 -1.13 . . . . 2.5 110.182 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -59.61 -35.52 74.5 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.767 -0.651 . . . . 2.1200000000000001 109.76 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.645 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 55.8 t-105 -53.77 -59.87 4.05 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.174 -0.676 . . . . 2.8799999999999999 109.174 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.0 mt -39.12 -53.43 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-N 116.241 -0.436 . . . . 2.46 110.473 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -55.02 -50.65 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.438 . . . . 3.8999999999999999 110.836 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.43 -42.29 86.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 3.4500000000000002 111.308 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 1.386 ' CE ' ' OE2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.37 -44.94 74.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.855 -0.424 . . . . 3.25 109.855 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -41.31 48.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.215 -0.661 . . . . 3.9900000000000002 109.215 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.97 -47.66 74.27 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.864 -0.607 . . . . 3.6299999999999999 109.849 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.586 HD23 ' CD ' ' A' ' 55' ' ' GLU . 2.7 tp -55.46 -47.48 76.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.845 -0.616 . . . . 3.6499999999999999 109.842 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.15 -36.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 2.8599999999999999 110.266 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -34.72 74.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.895 -0.593 . . . . 3.1200000000000001 110.338 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -80.28 -38.63 30.43 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.549 . . . . 3.25 109.896 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.391 -0.822 . . . . 4.3700000000000001 112.026 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.946 0.403 . . . . 4.7400000000000002 109.985 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -66.08 -44.36 84.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 4.1299999999999999 110.48 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.07 -53.96 48.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.909 -0.404 . . . . 4.5999999999999996 109.909 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.73 75.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 6.1799999999999997 110.148 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.563 . . . . 4.71 110.084 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.17 -53.85 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 4.54 109.916 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.29 -47.71 62.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.081 -0.508 . . . . 4.0 110.237 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -45.33 71.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.948 -0.569 . . . . 3.6099999999999999 110.428 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -59.61 -41.8 91.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.13 -0.487 . . . . 4.8099999999999996 110.002 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.23 -56.51 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.568 -0.742 . . . . 3.3700000000000001 110.477 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -45.75 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 3.1699999999999999 110.359 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.57 81.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 1.79 110.188 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 1.386 ' OE2' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.56 -55.76 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 2.6000000000000001 110.88 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 3.1200000000000001 111.15 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.14 -38.3 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 1.78 110.941 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.39 -25.66 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 1.8100000000000001 111.796 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.645 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 26.5 m80 -72.99 -41.01 64.77 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.503 -0.317 . . . . 3.2599999999999998 111.217 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.496 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -53.99 -61.34 5.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 3.0099999999999998 111.524 -178.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 44.5 Cg_exo -57.33 -51.32 8.78 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.205 1.937 . . . . 1.97 112.796 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.14 64.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.092 -0.503 . . . . 1.72 112.033 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.5 -57.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.936 -0.574 . . . . 1.8500000000000001 111.202 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -47.2 -48.93 23.76 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.271 -0.422 . . . . 4.1100000000000003 110.7 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.61 -55.22 7.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.607 -0.806 . . . . 1.54 112.277 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.0 t -59.0 -50.11 80.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.021 0.438 . . . . 2.0699999999999998 110.787 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.81 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 2.7999999999999998 110.848 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -51.97 -49.22 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.2400000000000002 110.639 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 m -57.96 -51.82 68.05 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.791 0.329 . . . . 1.54 110.503 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.08 -38.04 83.36 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.356 -0.926 . . . . 1.05 111.809 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -63.67 -35.35 80.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.69 -0.485 . . . . 3.6699999999999999 109.69 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -47.35 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.296 -0.411 . . . . 4.1299999999999999 109.996 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 2.1000000000000001 109.474 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.0 m -60.93 -47.97 83.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.215 -0.902 . . . . 2.0899999999999999 112.032 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -47.48 -59.72 3.04 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.199 -0.455 . . . . 2.3399999999999999 112.204 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -36.38 61.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.35 . . . . 2.8900000000000001 111.738 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -54.91 -53.69 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 5.0999999999999996 111.451 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m 73.86 -65.23 0.36 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.226 -0.443 . . . . 5.3099999999999996 110.536 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.31 100.05 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 4.9100000000000001 110.375 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.37 -25.44 2.48 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 111.433 -0.667 . . . . 3.2000000000000002 111.433 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.506 ' HZ1' ' CD ' ' A' ' 82' ' ' GLU . 1.4 pptp? -46.17 -38.42 8.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.664 0.268 . . . . 4.7199999999999998 110.97 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.506 ' CD ' ' HZ1' ' A' ' 81' ' ' LYS . 3.8 mp0 -50.6 -50.89 52.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 3.23 110.722 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -49.42 72.7 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.336 -0.393 . . . . 2.9399999999999999 110.029 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.68 -49.49 56.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 3.0 110.328 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.31 -49.07 64.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 3.7999999999999998 110.205 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -49.22 76.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 3.8799999999999999 110.046 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -51.4 67.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 5.25 110.937 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -38.27 78.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.41 . . . . 2.5299999999999998 110.107 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.3 69.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.856 -0.611 . . . . 1.5600000000000001 110.843 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -66.96 -43.34 83.34 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.143 -0.48 . . . . 3.3700000000000001 110.097 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 19' ' ' GLU . 80.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.571 -0.529 . . . . 1.71 109.571 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.2 t -53.7 -52.68 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 1.8799999999999999 109.84 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.7 OUTLIER -46.3 -55.29 7.46 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.164 -0.471 . . . . 1.71 110.337 178.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.629 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 43.7 m80 -54.87 -56.75 16.08 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.815 -0.439 . . . . 3.2000000000000002 109.815 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.616 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 25.7 t90 -46.05 -42.94 14.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.819 -0.628 . . . . 3.6600000000000001 110.282 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -59.81 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 3.3199999999999998 110.391 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.942 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -49.84 -46.08 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 3.0299999999999998 110.457 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -59.21 -47.11 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.312 -0.404 . . . . 2.8900000000000001 110.509 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -47.36 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 4.4800000000000004 110.059 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.65 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 4.0999999999999996 110.378 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.942 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 24.0 mt -53.34 -46.0 69.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.556 -0.293 . . . . 3.0800000000000001 110.662 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.46 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 2.2400000000000002 110.881 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.88 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 2.5600000000000001 110.595 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.83 75.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.903 -0.589 . . . . 2.7599999999999998 110.859 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.97 -43.35 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 5.0999999999999996 110.094 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.74 -27.78 20.96 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.844 -0.616 . . . . 3.27 113.144 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 112.032 0.382 . . . . 4.4100000000000001 112.032 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 4.8200000000000003 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.27 -42.83 92.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 4.4699999999999998 110.703 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CD2' HD12 ' A' ' 73' ' ' LEU . 41.1 t80 -54.67 -44.84 73.69 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.582 -0.447 . . . . 1.29 110.814 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -49.19 -51.92 29.86 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.569 -0.453 . . . . 3.2799999999999998 110.003 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -52.76 64.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 5.04 110.248 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.3 -44.78 54.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.855 0.36 . . . . 2.1000000000000001 110.721 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.4 tpt -54.93 -58.71 6.51 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.139 -0.482 . . . . 2.7200000000000002 110.798 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -46.22 81.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.808 -0.357 . . . . 2.46 110.374 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -42.33 71.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.699 0.285 . . . . 2.4900000000000002 110.396 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.591 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 14.7 tt0 -64.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.539 . . . . 3.0699999999999998 109.597 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -46.67 -37.36 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.733 -0.667 . . . . 2.5 109.654 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -51.33 69.76 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.811 -0.632 . . . . 2.1200000000000001 109.762 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 18.0 t90 -49.58 -45.63 48.06 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 116.272 -0.422 . . . . 2.8799999999999999 109.963 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -46.48 -56.13 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-O 120.902 0.382 . . . . 2.46 110.528 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 2.9 mttp -58.18 -42.35 85.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.32 -0.4 . . . . 3.8999999999999999 110.825 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.8 -41.7 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 3.4500000000000002 111.157 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -52.1 61.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.003 -0.279 . . . . 3.25 110.282 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.91 -43.53 63.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.92 0.39 . . . . 3.9900000000000002 110.782 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.63 -34.24 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 3.6299999999999999 110.421 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.45 -36.5 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.862 -0.608 . . . . 3.6499999999999999 110.771 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' HA ' ' HG2' ' A' ' 33' ' ' GLU . 2.7 t -59.57 -50.15 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 120.966 0.413 . . . . 2.8599999999999999 110.886 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -51.25 -36.48 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 3.1200000000000001 111.347 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.01 -53.41 6.44 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.384 0.513 . . . . 3.25 112.384 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 9.4 pt-20 . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 4.3700000000000001 111.514 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.602 0.239 . . . . 4.7400000000000002 110.757 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -59.15 -46.23 88.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.526 -0.306 . . . . 4.1299999999999999 110.48 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.51 -50.53 72.35 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 4.5999999999999996 110.355 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -55.86 -35.15 66.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.207 -0.452 . . . . 6.1799999999999997 110.047 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -46.14 91.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.015 -0.539 . . . . 4.71 109.797 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -57.4 -51.65 68.56 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.171 -0.677 . . . . 4.54 109.171 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.584 ' CE1' ' HE ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -52.31 -48.11 65.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.546 -0.752 . . . . 4.0 110.325 179.26 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -46.56 31.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.254 -0.43 . . . . 3.6099999999999999 110.555 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -40.14 96.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.075 0.464 . . . . 4.8099999999999996 109.98 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.38 -49.15 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.654 . . . . 3.3700000000000001 110.059 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.35 -50.86 49.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.33 -0.396 . . . . 3.1699999999999999 110.273 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.39 -51.69 61.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.332 -0.394 . . . . 1.79 109.982 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -51.09 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.493 -0.558 . . . . 2.6000000000000001 109.493 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.488 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -39.85 -45.63 1.84 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.594 -0.73 . . . . 3.1200000000000001 111.305 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.77 88.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.913 0.387 . . . . 1.78 111.049 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.25 -20.77 11.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.8100000000000001 112.168 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.627 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 17.8 m80 -62.86 -31.04 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.533 0.197 . . . . 3.2599999999999998 111.533 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.538 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 3.3 mp0 -64.71 -62.45 4.91 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.429 -0.508 . . . . 3.0099999999999998 110.91 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -56.23 -41.05 80.61 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 121.433 1.422 . . . . 1.97 112.486 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.69 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.168 0.803 . . . . 1.72 113.168 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -76.66 -39.55 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.097 0.406 . . . . 1.8500000000000001 112.097 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -56.0 -46.81 78.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.362 -0.236 . . . . 4.1100000000000003 110.362 179.312 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.05 15.88 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 120.358 -0.925 . . . . 1.54 111.214 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' A' ' 19' ' ' GLU . 22.5 t -55.76 -52.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 2.0699999999999998 109.861 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 tp -51.78 -52.56 48.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 2.7999999999999998 110.307 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -48.98 67.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 2.2400000000000002 110.489 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.0 m -56.96 -47.45 80.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.05 0.453 . . . . 1.54 109.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.423 ' HA2' ' HG ' ' A' ' 73' ' ' LEU . . . -56.6 -39.38 85.32 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.567 -0.825 . . . . 1.05 111.949 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.661 ' O ' ' OD2' ' A' ' 75' ' ' ASP . 11.0 mtpt -57.05 -40.59 77.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.587 -0.523 . . . . 3.6699999999999999 109.587 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HA ' ' OD2' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -56.47 -44.94 81.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.839 -0.618 . . . . 4.1299999999999999 110.344 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 12' ' ' PHE . 10.7 mt -51.39 -51.56 53.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 2.1000000000000001 109.987 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 m -58.46 -40.78 83.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 2.0899999999999999 110.405 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.701 ' OD2' ' HA ' ' A' ' 72' ' ' LYS . 19.4 m-20 -57.46 -37.01 72.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.797 -0.638 . . . . 2.3399999999999999 111.273 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.86 26.21 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.478 -0.328 . . . . 2.8900000000000001 111.394 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -145.88 121.93 10.74 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.904 0.383 . . . . 5.0999999999999996 111.097 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 t -67.99 -52.59 33.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 5.3099999999999996 110.526 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.78 101.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.968 -0.56 . . . . 4.9100000000000001 110.498 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.04 -38.84 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.008 -0.615 . . . . 3.2000000000000002 111.743 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -48.36 -41.4 28.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.73 0.3 . . . . 4.7199999999999998 110.665 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -51.2 -55.62 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 3.23 110.877 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.31 78.0 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.182 0.515 . . . . 2.9399999999999999 109.943 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.5 mt -52.27 -49.11 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 3.0 110.379 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.2 -47.06 69.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 3.7999999999999998 110.537 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.05 -49.18 74.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 3.8799999999999999 110.161 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -57.7 -51.42 69.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.058 -0.519 . . . . 5.25 110.498 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 tp -54.32 -41.45 69.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.521 . . . . 2.5299999999999998 110.088 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.506 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -56.21 -36.81 68.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 1.5600000000000001 110.45 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.32 -45.19 88.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 3.3700000000000001 110.305 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 25.5 t80 -59.79 -46.71 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 1.71 110.526 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.506 HG11 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -58.37 -44.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.324 -0.398 . . . . 1.8799999999999999 110.546 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 1.026 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.94 -51.56 56.16 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.589 -0.523 . . . . 1.71 109.589 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 1.026 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 23.0 m170 -50.52 -57.9 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 3.2000000000000002 110.253 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.426 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 10.4 t90 -50.51 -44.83 56.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 3.6600000000000001 110.833 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -50.5 -49.86 54.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.53 -0.305 . . . . 3.3199999999999998 110.495 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.38 -49.45 64.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 3.0299999999999998 110.076 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.53 80.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.8900000000000001 110.602 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.38 -46.89 79.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.849 -0.426 . . . . 4.4800000000000004 109.849 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -55.77 24.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.978 -0.556 . . . . 4.0999999999999996 109.825 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.7 tp -49.22 -50.26 39.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.562 . . . . 3.0800000000000001 110.097 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.87 -47.76 67.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.072 -0.513 . . . . 2.2400000000000002 110.337 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.62 67.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.965 -0.561 . . . . 2.5600000000000001 109.978 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.85 85.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 2.7599999999999998 110.247 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.584 ' HE ' ' CE1' ' A' ' 49' ' ' HIS . 3.8 tmm_? -50.33 -40.13 48.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.944 -0.571 . . . . 5.0999999999999996 110.032 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.83 -34.67 83.31 Favored Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.81 -0.632 . . . . 3.27 112.224 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 4.4100000000000001 110.74 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.1 m80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.833 0.349 . . . . 4.8200000000000003 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.52 -50.75 72.62 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.743 -0.836 . . . . 4.4699999999999998 108.743 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -48.31 23.0 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.127 -0.694 . . . . 1.29 109.127 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -50.89 -51.1 55.03 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.38 -0.6 . . . . 3.2799999999999998 109.38 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -57.71 -52.16 66.57 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.676 -0.49 . . . . 5.04 109.676 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.58 -49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.781 -0.451 . . . . 2.1000000000000001 109.781 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 1.459 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 4.0 ttp -56.62 -52.72 63.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.071 0.462 . . . . 2.7200000000000002 110.18 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.48 -44.71 62.54 Favored 'General case' 0 C--N 1.335 -0.062 0 N-CA-C 109.608 -0.515 . . . . 2.46 109.608 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -49.47 64.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 2.4900000000000002 109.408 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 1.459 ' OE1' ' CA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -59.7 -52.08 67.02 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.103 -0.702 . . . . 3.0699999999999998 109.103 178.154 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.864 ' OE1' ' HA ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -42.53 -48.11 5.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.839 -0.619 . . . . 2.5 109.525 178.714 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.83 -49.54 75.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.437 -0.579 . . . . 2.1200000000000001 109.437 178.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.655 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 2.4 t90 -51.05 -38.26 50.43 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.944 -0.571 . . . . 2.8799999999999999 109.987 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG12 ' CE3' ' A' ' 22' ' ' TRP . 1.9 mm -58.9 -57.27 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 2.46 109.983 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -52.86 -42.88 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.297 0.57 . . . . 3.8999999999999999 109.918 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.37 -35.73 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.24 -0.891 . . . . 3.4500000000000002 110.803 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 10.6 tptp -68.26 -42.06 80.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.197 -0.456 . . . . 3.25 110.006 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -56.24 -45.12 80.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.084 -0.507 . . . . 3.9900000000000002 110.399 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.2 -43.88 92.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.209 0.528 . . . . 3.6299999999999999 110.503 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.61 -46.9 87.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 3.6499999999999999 110.742 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG2' ' HZ3' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -56.3 -44.11 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 2.8599999999999999 110.708 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 m -56.32 -34.0 66.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 3.1200000000000001 111.216 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -76.55 -51.43 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 3.25 111.195 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 4.3700000000000001 111.371 -179.759 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.744 0.307 . . . . 4.7400000000000002 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -70.29 -39.32 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 4.1299999999999999 110.269 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -51.25 66.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 4.5999999999999996 109.699 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -53.93 -47.54 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 6.1799999999999997 110.807 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -62.9 -46.69 86.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 4.71 110.262 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -57.3 -45.48 84.12 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.714 -0.476 . . . . 4.54 109.714 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.415 ' CD2' HH22 ' A' ' 105' ' ' ARG . 7.5 t-80 -48.4 -54.11 15.25 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.427 . . . . 4.0 110.134 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -46.37 64.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.908 -0.587 . . . . 3.6099999999999999 109.964 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -69.31 -25.8 64.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 4.8099999999999996 110.329 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -46.79 85.72 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.101 -0.499 . . . . 3.3700000000000001 109.929 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.48 -47.7 69.55 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.505 -0.554 . . . . 3.1699999999999999 109.505 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.28 71.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.88 -0.6 . . . . 1.79 109.953 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.04 -56.72 12.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.803 -0.635 . . . . 2.6000000000000001 110.442 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.753 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 14.5 mt -55.56 -36.84 67.26 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.285 -0.416 . . . . 3.1200000000000001 111.216 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -56.92 -36.65 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 1.78 111.406 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.87 -33.59 30.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.309 . . . . 1.8100000000000001 111.816 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.655 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 1.5 m80 -73.36 -23.25 60.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 3.2599999999999998 111.509 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.753 ' OE1' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -68.21 -61.57 3.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.57 -0.286 . . . . 3.0099999999999998 110.269 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 38.4 Cg_exo -58.67 -34.36 98.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.305 2.003 . . . . 1.97 111.748 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.83 10.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 1.72 111.258 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 91' ' ' PHE . 3.0 mt -66.59 -46.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.8500000000000001 111.157 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.13 -52.77 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 4.1100000000000003 110.465 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.95 -46.91 32.41 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.745 -0.741 . . . . 1.54 111.69 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 1.044 HG22 ' OE2' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -61.96 -47.13 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.986 -0.376 . . . . 2.0699999999999998 109.986 179.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -51.8 -52.88 45.85 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.849 -0.426 . . . . 2.7999999999999998 109.849 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.03 -49.27 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 2.2400000000000002 110.1 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -51.35 -49.04 62.22 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.372 -0.376 . . . . 1.54 110.338 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.72 -50.48 43.1 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.249 -0.977 . . . . 1.05 111.28 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -57.06 -34.85 68.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.14 0.495 . . . . 3.6699999999999999 109.687 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -50.64 73.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.649 -0.705 . . . . 4.1299999999999999 110.439 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.84 -41.09 44.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.11 0.481 . . . . 2.1000000000000001 110.405 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -58.55 -48.83 79.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.757 -0.656 . . . . 2.0899999999999999 111.675 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -38.34 90.75 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.066 -0.254 . . . . 2.3399999999999999 111.178 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.09 -47.37 86.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.094 0.474 . . . . 2.8900000000000001 110.324 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -158.11 87.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.67 -0.695 . . . . 5.0999999999999996 110.078 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.22 136.75 48.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 5.3099999999999996 111.305 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 mt -141.03 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.763 -0.653 . . . . 4.9100000000000001 109.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.4 56.85 0.6 Allowed Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.7 -0.682 . . . . 3.2000000000000002 111.913 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.3 -46.07 3.15 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.843 0.312 . . . . 4.7199999999999998 111.843 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.9 pm0 -59.08 -49.35 78.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 3.23 110.598 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.485 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -53.22 -48.67 67.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.969 0.414 . . . . 2.9399999999999999 110.246 179.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.23 -52.86 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 3.0 110.132 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -41.64 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.834 -0.621 . . . . 3.7999999999999998 110.702 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -61.15 -50.33 73.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 3.8799999999999999 110.72 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.4 ' NH1' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.79 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 5.25 111.053 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -35.8 80.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.976 0.417 . . . . 2.5299999999999998 110.449 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.471 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -56.37 -39.89 73.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.019 -0.537 . . . . 1.5600000000000001 110.434 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -58.4 -48.64 79.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.106 0.479 . . . . 3.3700000000000001 110.295 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.864 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 2.7 t80 -52.26 -51.65 57.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.619 . . . . 1.71 111.166 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -60.3 -44.84 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.677 -0.409 . . . . 1.8799999999999999 110.449 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.818 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.3 -50.88 61.31 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.616 0.246 . . . . 1.71 110.46 179.034 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.818 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.5 t-80 -59.06 -50.74 72.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.037 0.446 . . . . 3.2000000000000002 110.053 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -52.87 -44.04 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.712 -0.676 . . . . 3.6600000000000001 110.109 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -56.66 18.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 3.3199999999999998 109.579 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -47.88 -46.84 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 3.0299999999999998 110.081 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -55.79 29.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.945 -0.57 . . . . 2.8900000000000001 110.442 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -45.66 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 4.4800000000000004 109.824 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.95 -53.41 58.31 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.854 -0.612 . . . . 4.0999999999999996 110.08 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.13 -43.67 52.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.968 -0.56 . . . . 3.0800000000000001 110.248 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.29 -55.02 32.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 2.2400000000000002 110.462 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.26 -49.58 52.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 2.5600000000000001 110.686 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.89 96.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.932 -0.577 . . . . 2.7599999999999998 110.928 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NE ' ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -58.07 -36.98 73.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 5.0999999999999996 110.292 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.437 ' N ' ' NE ' ' A' ' 105' ' ' ARG . . . -54.86 -46.26 77.06 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.899 -0.667 . . . . 3.27 112.21 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.817 0.342 . . . . 4.4100000000000001 110.693 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.649 0.261 . . . . 4.8200000000000003 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.96 -51.61 68.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.834 0.349 . . . . 4.4699999999999998 110.17 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CD2' HD12 ' A' ' 73' ' ' LEU . 52.5 t80 -50.55 -35.39 29.51 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.576 -0.45 . . . . 1.29 110.095 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.17 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -49.97 -46.78 52.77 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.859 -0.793 . . . . 3.2799999999999998 108.859 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 1.075 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -61.66 -50.66 71.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.706 -0.679 . . . . 5.04 109.256 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.82 -51.18 41.81 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.945 0.402 . . . . 2.1000000000000001 110.382 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.526 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -51.25 -56.43 12.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.185 0.516 . . . . 2.7200000000000002 110.089 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 1.17 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.61 -49.83 69.52 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.069 -0.514 . . . . 2.46 109.857 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.91 -44.26 50.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 2.4900000000000002 110.464 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.657 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -49.27 -61.95 1.81 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.846 -0.616 . . . . 3.0699999999999998 111.26 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.55 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 6.2 tp10 -64.8 -38.88 92.46 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.536 -0.542 . . . . 2.5 109.536 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -28.13 63.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.599 -0.728 . . . . 2.1200000000000001 110.102 179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 18.6 t-105 -57.28 -58.53 7.83 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 120.167 -0.613 . . . . 2.8799999999999999 109.58 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -44.44 -56.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 2.46 110.538 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -52.57 62.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 3.8999999999999999 112.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -27.9 68.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.342 -0.39 . . . . 3.4500000000000002 111.911 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HZ1' ' CE1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -76.67 -42.96 39.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.604 -0.517 . . . . 3.25 109.604 179.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -55.18 -40.91 71.23 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.674 -0.491 . . . . 3.9900000000000002 109.674 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.67 88.91 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.966 -0.561 . . . . 3.6299999999999999 110.072 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.44 -46.12 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.948 -0.569 . . . . 3.6499999999999999 110.067 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -60.22 -43.31 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.825 -0.625 . . . . 2.8599999999999999 110.543 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -53.65 -36.1 61.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.198 -0.456 . . . . 3.1200000000000001 110.304 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -77.88 -59.9 2.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.831 -0.622 . . . . 3.25 110.3 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.403 ' HG3' HH21 ' A' ' 51' ' ' ARG . 3.0 tp10 . . . . . 0 N--CA 1.463 0.18 0 CA-C-N 115.868 -0.605 . . . . 4.3700000000000001 111.359 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.732 0.301 . . . . 4.7400000000000002 110.476 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -59.86 -47.26 86.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.207 -0.451 . . . . 4.1299999999999999 110.616 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.45 -48.82 80.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.29 -0.414 . . . . 4.5999999999999996 109.923 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -52.04 -40.36 60.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 6.1799999999999997 110.029 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -42.02 92.67 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.905 -0.589 . . . . 4.71 110.012 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -57.04 -46.45 82.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.121 -0.491 . . . . 4.54 110.088 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -54.09 -55.79 24.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.118 -0.492 . . . . 4.0 110.607 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -58.62 -36.13 73.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 3.6099999999999999 110.504 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.403 HH21 ' HG3' ' A' ' 33' ' ' GLU . 3.0 ttm-85 -69.98 -31.35 69.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.953 -0.567 . . . . 4.8099999999999996 110.153 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.04 -50.42 73.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 3.3700000000000001 110.001 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.24 -54.59 24.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 3.1699999999999999 109.933 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.06 72.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 1.79 110.403 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.889 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.82 -50.38 63.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.831 -0.622 . . . . 2.6000000000000001 110.541 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.54 -41.5 66.48 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.25 -0.432 . . . . 3.1200000000000001 111.013 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.21 94.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 1.78 110.954 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.22 -20.56 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 1.8100000000000001 111.412 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 m80 -66.58 -41.6 88.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 3.2599999999999998 111.836 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -62.91 -60.46 9.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 121.034 -0.266 . . . . 3.0099999999999998 111.436 -178.614 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.5 Cg_exo -53.14 -42.92 61.32 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.25 1.967 . . . . 1.97 112.434 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 -60.69 3.1 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 1.72 111.854 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.558 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 3.2 mp -63.74 -41.95 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.8500000000000001 111.158 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -55.79 -45.18 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.573 -0.285 . . . . 4.1100000000000003 110.459 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.15 -47.78 15.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.671 . . . . 1.54 112.114 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.07 -51.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.889 0.376 . . . . 2.0699999999999998 110.183 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.37 -55.05 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 2.7999999999999998 110.251 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -50.68 -54.33 23.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.426 . . . . 2.2400000000000002 110.578 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.4 m -52.3 -47.55 65.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.898 0.38 . . . . 1.54 110.257 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.91 -45.56 49.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.356 -0.926 . . . . 1.05 111.56 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -61.72 -37.84 85.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.05 -0.352 . . . . 3.6699999999999999 110.05 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 5.2 mmtm -53.1 -46.14 68.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.208 -0.451 . . . . 4.1299999999999999 110.737 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.6 mt -50.78 -50.16 56.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.192 0.52 . . . . 2.1000000000000001 110.066 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 2.0899999999999999 111.448 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.32 -23.36 62.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 2.3399999999999999 112.083 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.597 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 23.3 m-20 -82.58 -53.12 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.572 0.212 . . . . 2.8900000000000001 111.572 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.7 p30 179.82 -32.23 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.616 0.246 . . . . 5.0999999999999996 110.919 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.413 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 8.9 m -75.57 68.63 2.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.349 -0.387 . . . . 5.3099999999999996 110.545 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mt -63.03 91.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.24 -0.436 . . . . 4.9100000000000001 111.178 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.0 30.92 2.42 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.899 -0.591 . . . . 3.2000000000000002 111.913 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -40.73 -59.41 1.4 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.217 0.451 . . . . 4.7199999999999998 112.217 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -47.36 -52.35 16.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 3.23 111.235 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.37 -49.91 66.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.36 -0.382 . . . . 2.9399999999999999 110.728 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.13 -44.86 88.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.992 0.425 . . . . 3.0 110.231 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.06 -46.78 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 3.7999999999999998 110.789 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.27 -54.69 36.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 3.8799999999999999 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 5.25 111.043 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 tp -64.69 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.412 -0.358 . . . . 2.5299999999999998 110.773 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.41 72.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.515 -0.311 . . . . 1.5600000000000001 110.542 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.32 -48.42 64.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 3.3700000000000001 109.949 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -57.88 -49.96 74.94 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.845 -0.616 . . . . 1.71 110.031 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.19 -45.35 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.8799999999999999 110.009 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -50.75 -51.48 49.77 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.21 -0.45 . . . . 1.71 110.55 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.2 -47.19 77.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.513 0.673 . . . . 3.2000000000000002 109.469 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.535 ' CZ2' ' HB3' ' A' ' 59' ' ' HIS . 5.4 t-105 -54.49 -36.76 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.926 -1.034 . . . . 3.6600000000000001 112.154 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -64.9 -47.69 76.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.745 -0.382 . . . . 3.3199999999999998 110.907 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 2.0 pt-20 -61.9 -36.29 80.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.801 -0.444 . . . . 3.0299999999999998 109.801 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.432 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 3.6 mp -61.55 -56.32 21.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 2.8900000000000001 110.352 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -53.0 -46.94 68.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.8 -0.444 . . . . 4.4800000000000004 109.8 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.15 -55.83 26.72 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.18 -0.464 . . . . 4.0999999999999996 110.362 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.98 -46.58 61.4 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.413 -0.358 . . . . 3.0800000000000001 110.482 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.11 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 2.2400000000000002 110.619 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -46.72 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 2.5600000000000001 110.829 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.7 86.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 2.7599999999999998 110.646 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -45.0 81.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 5.0999999999999996 110.466 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.41 -31.72 74.46 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.994 -0.622 . . . . 3.27 112.535 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 4.4100000000000001 110.552 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.998 0.428 . . . . 4.8200000000000003 110.213 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -50.1 -48.84 53.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 4.4699999999999998 110.846 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 21.0 t80 -52.43 -49.84 63.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 120.305 -0.558 . . . . 1.29 109.843 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.88 -49.0 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 3.2799999999999998 109.731 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.537 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -61.67 -50.7 71.45 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.661 -0.699 . . . . 5.04 110.164 179.083 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.93 -44.34 60.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 2.1000000000000001 110.147 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -60.03 3.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.156 0.503 . . . . 2.7200000000000002 110.515 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.769 ' C ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.827 -0.624 . . . . 2.46 110.162 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 4.2 m-20 -58.48 -42.25 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 2.4900000000000002 110.534 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HG2' ' CE2' ' A' ' 91' ' ' PHE . 1.6 tp10 -63.17 -55.55 24.15 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.242 -0.651 . . . . 3.0699999999999998 109.242 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.21 -47.07 17.93 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.037 -0.529 . . . . 2.5 109.89 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 m -59.81 -47.91 83.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.325 -0.398 . . . . 2.1200000000000001 110.234 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.64 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 7.2 t90 -55.47 -38.86 69.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.287 -0.415 . . . . 2.8799999999999999 110.651 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG12 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm -63.68 -54.73 28.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 110.026 -0.361 . . . . 2.46 110.026 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HZ3' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -52.78 -43.19 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.2 0.524 . . . . 3.8999999999999999 109.723 178.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.08 -45.14 86.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.558 -0.746 . . . . 3.4500000000000002 110.124 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.665 ' HG3' ' NE2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -59.78 -46.44 89.18 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.96 -0.564 . . . . 3.25 109.816 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -54.83 -46.18 74.55 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 3.9900000000000002 109.837 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.8 -44.09 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 3.6299999999999999 109.781 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -46.07 89.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 3.6499999999999999 110.348 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -42.75 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.156 0.503 . . . . 2.8599999999999999 110.062 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.56 -27.9 63.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.483 -0.78 . . . . 3.1200000000000001 110.685 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.3 m -74.43 -40.43 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 3.25 110.915 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 4.3700000000000001 110.722 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.866 0.365 . . . . 4.7400000000000002 110.625 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -38.17 81.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 4.1299999999999999 110.147 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.76 -53.55 39.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.719 -0.673 . . . . 4.5999999999999996 109.5 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -50.36 -43.82 54.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.79 -0.641 . . . . 6.1799999999999997 110.733 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -63.34 -50.84 68.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 4.71 110.437 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -42.7 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.759 -0.46 . . . . 4.54 109.759 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -48.12 -55.22 10.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.325 -0.398 . . . . 4.0 110.133 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -43.78 68.03 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.173 -0.467 . . . . 3.6099999999999999 110.072 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -33.44 75.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.972 -0.558 . . . . 4.8099999999999996 110.23 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.5 -52.79 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.749 -0.66 . . . . 3.3700000000000001 109.849 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.52 -47.06 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 3.1699999999999999 110.227 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.58 54.72 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.181 -0.463 . . . . 1.79 110.557 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -55.59 -49.07 73.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 2.6000000000000001 110.052 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -45.33 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.443 -0.799 . . . . 3.1200000000000001 110.955 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.43 83.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 1.78 111.436 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -26.96 68.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.95 0.352 . . . . 1.8100000000000001 111.95 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.665 ' NE2' ' HG3' ' A' ' 26' ' ' LYS . 1.7 m80 -71.48 -37.55 71.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.586 -0.279 . . . . 3.2599999999999998 111.331 -179.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -49.58 -62.52 2.42 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 120.9 -0.32 . . . . 3.0099999999999998 110.457 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 72.7 Cg_exo -49.8 -46.05 29.26 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.67 2.246 . . . . 1.97 112.599 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.58 72.91 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.115 -0.493 . . . . 1.72 111.318 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.553 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 4.8 mt -80.79 -32.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 1.8500000000000001 111.473 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.788 ' O ' ' OD2' ' A' ' 68' ' ' ASP . 2.9 mm100 -53.36 -51.87 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 4.1100000000000003 109.605 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.91 -52.17 22.21 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.518 -0.848 . . . . 1.54 111.375 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.18 -55.9 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 2.0699999999999998 110.488 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.3 -51.85 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 2.7999999999999998 111.225 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.788 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 10.7 m-20 -56.61 -46.44 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 2.2400000000000002 110.934 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 m -62.28 -49.4 75.82 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.81 0.338 . . . . 1.54 110.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.41 -42.75 75.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.72 -0.752 . . . . 1.05 112.0 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -60.52 -42.38 96.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.843 -0.429 . . . . 3.6699999999999999 109.843 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -48.81 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.794 -0.639 . . . . 4.1299999999999999 110.932 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 12' ' ' PHE . 4.9 mt -58.48 -41.33 85.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 2.1000000000000001 110.842 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 m -65.6 -45.89 81.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.059 -0.518 . . . . 2.0899999999999999 111.73 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -47.68 -43.36 26.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 2.3399999999999999 111.856 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -88.7 -42.51 11.93 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.913 0.338 . . . . 2.8900000000000001 111.913 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -75.3 133.3 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.103 0.478 . . . . 5.0999999999999996 111.859 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -91.27 -74.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.793 -0.64 . . . . 5.3099999999999996 109.548 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.46 102.61 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.772 -0.649 . . . . 4.9100000000000001 110.273 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.84 -27.51 3.33 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.97 -0.633 . . . . 3.2000000000000002 112.004 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -46.17 -46.96 17.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.897 0.379 . . . . 4.7199999999999998 110.826 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.32 -53.16 59.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 3.23 110.767 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -53.08 -46.72 68.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.35 -0.386 . . . . 2.9399999999999999 110.186 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.9 mm -55.72 -53.56 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 3.0 110.676 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -41.65 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 3.7999999999999998 111.035 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -62.42 -47.04 85.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 3.8799999999999999 110.577 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -61.19 -48.98 79.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.929 0.395 . . . . 5.25 110.211 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.7 tp -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 2.5299999999999998 110.097 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.4 -33.44 73.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 1.5600000000000001 110.934 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -69.77 -38.82 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 3.3700000000000001 110.068 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.553 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 11.3 t80 -59.43 -49.84 76.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.737 -0.468 . . . . 1.71 109.737 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.5 t -49.28 -48.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 1.8799999999999999 110.342 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.21 -56.17 18.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.659 -0.497 . . . . 1.71 109.659 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -50.14 -56.39 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 3.2000000000000002 110.496 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -51.82 -46.79 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 3.6600000000000001 110.368 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -50.29 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 3.3199999999999998 109.656 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 1.314 ' OE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -51.13 -49.73 60.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.835 -0.62 . . . . 3.0299999999999998 110.253 179.263 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 9.5 tt -55.84 -49.36 73.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 2.8900000000000001 110.217 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -51.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 4.4800000000000004 110.414 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -54.39 -54.16 44.29 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.822 0.344 . . . . 4.0999999999999996 110.567 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 1.314 HD13 ' OE1' ' A' ' 97' ' ' GLU . 1.3 mt -52.77 -44.01 66.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.211 -0.45 . . . . 3.0800000000000001 110.826 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.01 -49.78 72.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 2.2400000000000002 110.47 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 2.5600000000000001 110.376 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.47 -51.12 63.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.917 -0.583 . . . . 2.7599999999999998 110.334 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -47.91 17.6 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.012 -0.54 . . . . 5.0999999999999996 110.253 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -53.69 -49.68 56.93 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.772 -0.728 . . . . 3.27 111.62 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.913 0.387 . . . . 4.4100000000000001 110.182 179.142 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.614 0.245 . . . . 4.8200000000000003 111.311 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -65.43 -47.84 74.81 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.749 0.309 . . . . 4.4699999999999998 110.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.34 -39.94 67.58 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.24 -0.584 . . . . 1.29 109.718 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.78 -52.94 16.88 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.362 -0.607 . . . . 3.2799999999999998 109.362 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.86 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 5.3 ttp85 -59.53 -53.0 63.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.761 -0.654 . . . . 5.04 109.413 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 1.221 ' CA ' ' OD2' ' A' ' 18' ' ' ASP . 5.3 m-20 -47.27 -44.26 22.91 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.001 0.429 . . . . 2.1000000000000001 110.463 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.645 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.43 -59.55 4.43 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.211 -0.45 . . . . 2.7200000000000002 109.86 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.03 -45.66 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.568 -0.531 . . . . 2.46 109.568 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.221 ' OD2' ' CA ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -46.53 -42.36 15.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.914 -0.584 . . . . 2.4900000000000002 110.149 179.089 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.645 ' OE1' ' CA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -52.79 -68.81 0.14 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.448 0.642 . . . . 3.0699999999999998 110.728 179.477 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.72 -37.0 49.11 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.22 -0.9 . . . . 2.5 109.573 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.9 -34.65 77.88 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.577 -0.738 . . . . 2.1200000000000001 109.724 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.631 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 24.1 t-105 -54.71 -59.65 4.42 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.106 -0.702 . . . . 2.8799999999999999 109.106 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.8 mm -39.11 -55.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.303 -0.408 . . . . 2.46 110.76 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -56.7 -51.22 69.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.04 0.448 . . . . 3.8999999999999999 110.999 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -40.85 79.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 3.4500000000000002 111.842 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -46.95 65.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.844 -0.428 . . . . 3.25 109.844 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.092 0.472 . . . . 3.9900000000000002 109.887 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -45.62 88.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 3.6299999999999999 109.856 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.06 -48.09 64.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.575 . . . . 3.6499999999999999 110.255 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 t -58.0 -48.68 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.662 . . . . 2.8599999999999999 110.849 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 m -63.07 -26.0 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 3.1200000000000001 111.646 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 m -76.63 -54.02 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 3.25 110.788 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 4.3700000000000001 110.664 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.991 0.424 . . . . 4.7400000000000002 110.533 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -42.52 89.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 4.1299999999999999 110.056 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.77 -53.06 62.09 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.317 -0.623 . . . . 4.5999999999999996 109.317 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -40.05 71.57 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.066 -0.716 . . . . 6.1799999999999997 109.066 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -46.6 82.88 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.428 -0.806 . . . . 4.71 109.694 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -49.93 74.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.742 -0.663 . . . . 4.54 109.976 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -51.61 -50.06 60.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.659 -0.497 . . . . 4.0 109.659 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -40.43 74.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.972 -0.558 . . . . 3.6099999999999999 109.745 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -66.54 -32.86 74.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 4.8099999999999996 109.806 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.92 -51.84 67.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.889 -0.596 . . . . 3.3700000000000001 110.282 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.658 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.7 mm-40 -53.0 -51.06 62.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 3.1699999999999999 109.939 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.5 89.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.968 -0.56 . . . . 1.79 110.045 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.786 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.93 -53.64 46.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.624 -0.717 . . . . 2.6000000000000001 110.273 179.043 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -35.58 74.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 3.1200000000000001 111.432 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.99 -42.09 99.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 1.78 110.463 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.45 -23.43 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 1.8100000000000001 111.546 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.637 ' CD2' ' NE1' ' A' ' 95' ' ' TRP . 17.0 m80 -70.63 -42.94 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 3.2599999999999998 111.35 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 1.105 ' OE1' ' NE2' ' A' ' 64' ' ' GLN . 2.1 tp10 -56.73 -60.39 9.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 3.0099999999999998 111.564 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 35.8 Cg_exo -59.41 -48.85 12.11 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.709 1.606 . . . . 1.97 112.608 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.41 -55.31 30.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.108 0.48 . . . . 1.72 111.752 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -58.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.867 -0.606 . . . . 1.8500000000000001 111.558 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 1.105 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 2.8 mp0 -49.16 -46.78 45.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.5 -0.318 . . . . 4.1100000000000003 110.493 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.4 -54.02 7.7 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.794 -0.717 . . . . 1.54 112.052 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.605 HG23 ' CD ' ' A' ' 19' ' ' GLU . 63.7 t -58.06 -51.62 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.57 -0.452 . . . . 2.0699999999999998 110.58 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.87 -51.89 47.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 2.7999999999999998 111.076 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.689 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 9.6 m-20 -54.12 -50.03 67.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 2.2400000000000002 110.251 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -57.31 -51.73 68.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.54 110.496 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.89 -42.54 47.05 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.495 -0.86 . . . . 1.05 111.439 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.48 99.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.447 -0.575 . . . . 3.6699999999999999 109.447 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.884 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 26.9 mmtp -63.97 -33.26 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.613 -0.721 . . . . 4.1299999999999999 110.681 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mp -61.33 -43.15 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 2.1000000000000001 109.918 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 -32.36 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.751 -0.659 . . . . 2.0899999999999999 110.622 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.12 -38.12 81.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.86 -0.609 . . . . 2.3399999999999999 111.589 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.884 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -94.42 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.427 -0.351 . . . . 2.8900000000000001 111.357 -179.384 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 173.11 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.946 -0.57 . . . . 5.0999999999999996 111.099 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -123.03 2.16 9.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 5.3099999999999996 111.252 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.7 tp -51.31 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 120.896 0.379 . . . . 4.9100000000000001 111.319 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 30.34 57.03 0.23 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.54 -0.755 . . . . 3.2000000000000002 113.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -48.16 29.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.686 0.243 . . . . 4.7199999999999998 111.451 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.53 -43.68 89.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 3.23 110.723 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 86' ' ' GLN . 1.6 tm-20 -57.06 -50.48 72.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.959 0.409 . . . . 2.9399999999999999 110.035 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mt -58.19 -45.94 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 3.0 109.84 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -53.88 -50.23 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 3.7999999999999998 110.99 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.552 ' HG3' ' N ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -59.86 -42.89 94.67 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.683 0.278 . . . . 3.8799999999999999 110.484 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.552 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -59.67 -50.22 74.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 5.25 110.74 179.522 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -40.54 82.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 2.5299999999999998 110.742 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -30.34 66.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 1.5600000000000001 111.39 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.508 HE21 ' CE1' ' A' ' 94' ' ' HIS . 32.9 tp60 -66.75 -46.2 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 3.3700000000000001 110.389 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 66.4 t80 -53.79 -48.81 69.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.156 0.503 . . . . 1.71 109.895 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 t -56.54 -49.82 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 1.8799999999999999 110.212 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -53.12 33.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.843 0.354 . . . . 1.71 110.256 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.508 ' CE1' HE21 ' A' ' 90' ' ' GLN . 26.4 m-70 -53.41 -56.84 13.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 3.2000000000000002 110.045 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 27.1 t90 -51.79 -44.09 63.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.955 -0.566 . . . . 3.6600000000000001 110.574 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -49.66 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 3.3199999999999998 110.462 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.76 -53.23 51.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 3.0299999999999998 110.488 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.8 mt -54.22 -46.26 72.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.982 -0.553 . . . . 2.8900000000000001 110.352 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -56.56 -49.3 75.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.422 -0.584 . . . . 4.4800000000000004 109.422 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.54 19.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.497 -0.774 . . . . 4.0999999999999996 110.134 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.6 tp -51.89 -52.99 45.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 3.0800000000000001 110.182 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.74 -46.31 50.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.783 -0.644 . . . . 2.2400000000000002 111.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.73 -50.99 64.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 2.5600000000000001 110.754 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.28 85.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.236 -0.438 . . . . 2.7599999999999998 110.426 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -55.59 -44.1 76.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.886 -0.597 . . . . 5.0999999999999996 110.12 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.32 27.27 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 115.768 -0.651 . . . . 3.27 112.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 . . . . . 0 C--N 1.332 -0.179 0 N-CA-C 110.163 -0.31 . . . . 4.4100000000000001 110.163 179.512 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.304 . . . . 4.8200000000000003 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.02 -44.8 79.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 4.4699999999999998 110.493 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.503 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 43.6 t80 -53.25 -49.81 66.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.355 -0.384 . . . . 1.29 110.867 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.947 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 18.3 m-85 -49.44 -47.42 48.19 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.669 -0.413 . . . . 3.2799999999999998 109.918 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -59.86 -52.99 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 5.04 109.804 178.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 1.125 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 5.4 m-20 -50.54 -45.6 57.0 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.285 -0.416 . . . . 2.1000000000000001 110.618 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.516 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.56 -54.9 41.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.34 -0.391 . . . . 2.7200000000000002 110.024 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.947 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 1.3 m-20 -53.21 -46.12 68.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.698 -0.482 . . . . 2.46 109.698 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.125 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -52.56 -53.32 47.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.551 -0.295 . . . . 2.4900000000000002 110.497 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.586 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 12.4 pt-20 -60.31 -56.2 24.34 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.888 -0.412 . . . . 3.0699999999999998 109.888 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 4.3 mm-40 -47.12 -40.26 15.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.431 -0.581 . . . . 2.5 109.431 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -38.23 89.55 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 2.1200000000000001 110.05 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -54.89 -45.98 74.72 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.553 -0.536 . . . . 2.8799999999999999 109.553 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mm -50.25 -56.92 2.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.598 0.713 . . . . 2.46 109.116 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -41.45 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.031 -0.986 . . . . 3.8999999999999999 110.991 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -63.15 -43.35 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 3.4500000000000002 110.823 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -61.59 -50.07 74.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.725 -0.472 . . . . 3.25 109.725 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -54.69 -46.42 74.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.694 -0.484 . . . . 3.9900000000000002 109.694 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.21 -35.34 78.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 3.6299999999999999 110.254 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.75 -54.2 49.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 3.6499999999999999 109.812 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 t -57.71 -37.9 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.239 0.543 . . . . 2.8599999999999999 109.733 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -66.41 -31.44 72.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.183 -0.917 . . . . 3.1200000000000001 110.477 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 t -81.92 -30.0 32.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.74 -0.664 . . . . 3.25 111.439 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 4.3700000000000001 111.669 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.096 0.474 . . . . 4.7400000000000002 110.069 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.15 -50.98 71.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 4.1299999999999999 110.569 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.92 -49.3 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.031 -0.359 . . . . 4.5999999999999996 110.031 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -42.4 62.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 6.1799999999999997 110.608 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -46.68 89.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.351 -0.386 . . . . 4.71 110.221 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -60.79 -45.44 94.36 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.774 -0.454 . . . . 4.54 109.774 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -50.2 -50.17 50.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.759 -0.655 . . . . 4.0 110.71 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.99 -49.4 50.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.925 0.393 . . . . 3.6099999999999999 110.658 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -39.6 82.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 4.8099999999999996 110.084 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.03 -52.38 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 3.3700000000000001 110.205 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.678 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.4 mm-40 -49.17 -44.52 42.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 3.1699999999999999 110.968 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.23 23.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.06 0.457 . . . . 1.79 110.235 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.8 -39.64 65.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.772 -0.649 . . . . 2.6000000000000001 110.58 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 2.1 tp -62.19 -50.27 72.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 3.1200000000000001 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -63.13 -27.77 69.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 1.78 111.92 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.8 53.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.737 0.643 . . . . 1.8100000000000001 112.737 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.632 ' CD2' ' HE1' ' A' ' 95' ' ' TRP . 28.0 p-80 -75.69 -20.7 58.21 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.554 0.576 . . . . 3.2599999999999998 112.554 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.59 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -60.69 -62.17 6.5 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 108.364 -0.976 . . . . 3.0099999999999998 108.364 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.59 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 53.1 Cg_exo -58.59 -39.97 78.04 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.578 2.185 . . . . 1.97 111.537 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.54 94.13 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.737 -0.665 . . . . 1.72 111.365 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.461 HG22 ' CZ3' ' A' ' 95' ' ' TRP . 1.2 mp -60.48 -54.51 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.8500000000000001 109.745 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.407 ' N ' HG23 ' A' ' 63' ' ' ILE . 27.2 tt0 -47.8 -52.21 19.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.888 -0.596 . . . . 4.1100000000000003 110.627 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.13 -49.21 37.64 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.675 -0.774 . . . . 1.54 112.043 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.9 -50.65 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 2.0699999999999998 110.468 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.71 -51.19 66.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 2.7999999999999998 110.622 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.19 -51.15 59.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 2.2400000000000002 110.914 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.503 ' HB ' ' CD1' ' A' ' 12' ' ' PHE . 2.1 m -61.26 -49.4 77.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.896 0.379 . . . . 1.54 110.301 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.4 -39.86 52.84 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.627 -0.797 . . . . 1.05 111.522 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -44.18 51.34 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.054 0.454 . . . . 3.6699999999999999 110.013 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -53.89 50.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.67 -0.695 . . . . 4.1299999999999999 109.941 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.28 -42.89 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 2.1000000000000001 110.401 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -53.26 53.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 2.0899999999999999 110.666 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -45.12 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.3399999999999999 111.385 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.67 43.98 1.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.003 0.371 . . . . 2.8900000000000001 112.003 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -45.33 134.12 6.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.509 0.195 . . . . 5.0999999999999996 110.632 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.6 105.76 1.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 5.3099999999999996 111.132 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 80' ' ' GLY . 70.8 mt 34.67 -109.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.028 -0.533 . . . . 4.9100000000000001 111.786 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.448 ' N ' ' CG2' ' A' ' 79' ' ' ILE . . . -31.08 -37.2 0.02 OUTLIER Glycine 0 C--N 1.337 0.604 0 N-CA-C 114.092 0.397 . . . . 3.2000000000000002 114.092 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -46.9 -36.13 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.93 0.345 . . . . 4.7199999999999998 111.93 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -48.1 82.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.693 -0.231 . . . . 3.23 111.045 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.1 -49.93 72.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.481 . . . . 2.9399999999999999 109.945 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -55.58 -51.69 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 3.0 110.284 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -45.22 72.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 3.7999999999999998 110.96 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 3.8799999999999999 110.229 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.409 ' NH1' ' SD ' ' A' ' 16' ' ' MET . 28.0 ttp85 -59.6 -50.8 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 5.25 110.173 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -45.0 78.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.992 0.425 . . . . 2.5299999999999998 110.091 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.16 76.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.039 -0.528 . . . . 1.5600000000000001 110.055 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.31 -44.08 92.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 3.3700000000000001 109.546 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 9.0 t80 -55.53 -49.48 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 1.71 110.617 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.632 HG11 ' N ' ' A' ' 93' ' ' ASP . 8.6 p -56.25 -46.87 81.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 120.741 -0.384 . . . . 1.8799999999999999 110.629 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.915 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.26 -52.98 49.47 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.454 -0.573 . . . . 1.71 109.454 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.915 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 7.3 m-70 -52.25 -56.73 12.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.787 -0.642 . . . . 3.2000000000000002 109.965 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.632 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 13.1 t90 -45.86 -43.07 13.24 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.086 -0.506 . . . . 3.6600000000000001 111.356 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 7.3 mttt -53.96 -53.21 55.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.873 -0.331 . . . . 3.3199999999999998 110.656 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.08 -51.99 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.034 0.445 . . . . 3.0299999999999998 110.639 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.5 mt -58.31 -36.5 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 2.8900000000000001 110.802 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -61.43 -50.48 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.846 -0.428 . . . . 4.4800000000000004 109.846 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -57.51 -50.26 73.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.042 -0.526 . . . . 4.0999999999999996 109.847 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.84 -48.59 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 3.0800000000000001 110.435 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.3 74.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 2.2400000000000002 110.891 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.33 72.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 2.5600000000000001 110.397 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.33 84.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.55 . . . . 2.7599999999999998 110.57 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -57.83 -45.82 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 5.0999999999999996 110.359 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.97 -29.41 69.11 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.667 -0.778 . . . . 3.27 112.661 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.644 0.259 . . . . 4.4100000000000001 111.581 -179.364 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.433 ' CE1' ' HG2' ' A' ' 11' ' ' GLN . 12.3 p80 . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.488 0.185 . . . . 4.8200000000000003 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 1.097 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 15.8 mm100 -66.34 -39.78 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.958 -0.386 . . . . 4.4699999999999998 109.958 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 34.9 t80 -53.28 -50.63 64.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.201 -0.454 . . . . 1.29 110.037 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.47 -52.21 55.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.429 -0.35 . . . . 3.2799999999999998 110.319 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -53.34 39.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 5.04 110.019 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 1.097 ' OD1' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -51.79 -53.57 38.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.002 0.43 . . . . 2.1000000000000001 109.946 178.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -52.19 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 2.7200000000000002 110.632 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -53.93 -51.84 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 2.46 110.467 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.505 -0.316 . . . . 2.4900000000000002 110.755 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -65.43 -56.62 11.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.332 . . . . 3.0699999999999998 110.181 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -45.97 -42.68 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.324 -0.398 . . . . 2.5 110.25 178.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -40.98 67.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.714 -0.476 . . . . 2.1200000000000001 109.714 178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.603 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 26.1 t90 -56.1 -40.2 73.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.659 -0.7 . . . . 2.8799999999999999 111.754 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 24' ' ' LYS . 7.3 tp -64.56 -52.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.157 -0.617 . . . . 2.46 110.414 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -56.57 -43.03 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.977 0.418 . . . . 3.8999999999999999 110.455 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -37.27 73.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.798 -0.637 . . . . 3.4500000000000002 111.075 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 11.6 tptp -68.21 -41.83 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 3.25 110.16 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -46.44 69.68 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.189 0.518 . . . . 3.9900000000000002 109.908 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.19 -39.64 90.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.026 -0.534 . . . . 3.6299999999999999 110.207 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.63 -45.28 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 3.6499999999999999 110.412 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.54 -46.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.007 0.432 . . . . 2.8599999999999999 110.392 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -56.39 -34.35 66.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 3.1200000000000001 111.01 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -77.25 -44.18 30.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 3.25 111.033 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 4.3700000000000001 110.943 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.818 0.342 . . . . 4.7400000000000002 110.254 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' C ' HD21 ' A' ' 44' ' ' ASN . 0.1 OUTLIER -58.39 -50.95 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 4.1299999999999999 109.653 179.165 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -54.59 -55.88 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.382 -0.826 . . . . 4.5999999999999996 110.653 179.383 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.82 -33.45 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.876 -0.602 . . . . 6.1799999999999997 111.26 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HE3' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -71.54 -33.01 68.78 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.468 -0.567 . . . . 4.71 109.468 179.103 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.65 91.71 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.236 -0.653 . . . . 4.54 109.236 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.41 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -46.83 -58.75 3.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.946 0.403 . . . . 4.0 110.176 179.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -56.58 -45.95 81.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.139 -0.482 . . . . 3.6099999999999999 110.75 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 -63.74 -27.04 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 4.8099999999999996 110.321 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -54.46 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 3.3700000000000001 110.757 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 54' ' ' ALA . 2.1 pt-20 -53.88 -43.95 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 3.1699999999999999 110.571 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' ' 53' ' ' GLU . . . -62.25 -48.69 78.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.109 0.481 . . . . 1.79 109.871 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.5 mt-10 -54.75 -53.52 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.628 -0.715 . . . . 2.6000000000000001 110.889 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.53 -40.06 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.4 -0.363 . . . . 3.1200000000000001 111.563 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -57.85 -43.38 85.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.78 111.663 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.01 -26.41 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.89 0.7 . . . . 1.8100000000000001 112.89 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.603 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 2.3 m80 -77.18 -33.92 56.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 3.2599999999999998 111.551 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -56.77 -60.8 8.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 3.0099999999999998 110.841 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.4 Cg_exo -55.4 -40.19 86.93 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.394 2.063 . . . . 1.97 112.414 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.43 -49.43 74.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.287 -0.415 . . . . 1.72 111.249 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.522 HG12 ' CE1' ' A' ' 91' ' ' PHE . 3.0 mt -70.65 -45.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 1.8500000000000001 110.796 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -46.57 70.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 4.1100000000000003 110.522 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.58 -49.96 25.96 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.736 -0.745 . . . . 1.54 111.717 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.507 HG11 ' N ' ' A' ' 67' ' ' LEU . 1.2 t -57.86 -50.67 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.395 . . . . 2.0699999999999998 110.321 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 ' N ' HG11 ' A' ' 66' ' ' VAL . 20.7 tp -52.83 -53.16 52.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 2.7999999999999998 110.706 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.6 -47.09 73.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.2400000000000002 110.842 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -60.48 -48.84 80.02 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.161 -0.311 . . . . 1.54 110.161 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.05 -41.66 53.28 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.675 -0.774 . . . . 1.05 111.275 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 1.106 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -57.97 -47.32 83.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.2 -0.667 . . . . 3.6699999999999999 109.2 178.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HA ' ' OD1' ' A' ' 75' ' ' ASP . 1.7 tmtm? -57.4 -46.29 83.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.721 -0.672 . . . . 4.1299999999999999 109.764 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.472 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 3.3 mp -48.67 -54.96 12.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 2.1000000000000001 109.555 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -54.23 -42.32 69.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 2.0899999999999999 109.988 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 1.106 ' OD1' ' O ' ' A' ' 71' ' ' LYS . 3.6 m-20 -63.3 -30.55 71.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.584 -0.734 . . . . 2.3399999999999999 112.242 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.37 -5.01 23.38 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.587 0.958 . . . . 2.8900000000000001 113.587 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 73' ' ' LEU . 8.4 p30 -150.18 14.32 0.79 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.347 -0.541 . . . . 5.0999999999999996 112.365 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.1 p 32.0 -99.41 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 5.3099999999999996 112.124 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.16 127.48 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.333 -0.394 . . . . 4.9100000000000001 111.361 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.85 -36.77 2.07 Favored Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.111 -0.796 . . . . 3.2000000000000002 111.111 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -33.32 6.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.311 -0.444 . . . . 4.7199999999999998 111.299 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -43.55 -53.59 5.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.664 0.269 . . . . 3.23 111.36 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.51 -50.84 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.106 0.479 . . . . 2.9399999999999999 109.984 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.57 -45.89 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.859 -0.609 . . . . 3.0 110.823 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.8 -50.08 66.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.423 -0.353 . . . . 3.7999999999999998 110.811 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.46 -47.3 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 3.8799999999999999 110.459 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -50.82 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 5.25 110.688 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.74 -35.83 69.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 2.5299999999999998 110.354 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.464 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -61.43 -37.92 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 1.5600000000000001 110.455 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.624 HE21 ' CE1' ' A' ' 94' ' ' HIS . 45.4 tp60 -66.97 -40.93 87.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.27 0.557 . . . . 3.3700000000000001 109.83 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.522 ' CE1' HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -59.99 -53.57 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 1.71 109.986 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -53.88 -44.46 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.774 -0.37 . . . . 1.8799999999999999 110.216 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.6 OUTLIER -51.95 -58.54 6.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.77 0.319 . . . . 1.71 110.942 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.624 ' CE1' HE21 ' A' ' 90' ' ' GLN . 5.3 m-70 -57.09 -48.48 78.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.912 0.387 . . . . 3.2000000000000002 111.102 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -62.33 -35.25 78.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 3.6600000000000001 110.608 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -47.87 82.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 3.3199999999999998 109.937 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.27 -48.11 81.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.038 0.447 . . . . 3.0299999999999998 109.856 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.27 -46.92 82.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.897 -0.592 . . . . 2.8900000000000001 110.245 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -55.59 -50.58 69.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 4.4800000000000004 109.849 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -51.41 -54.85 22.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 4.0999999999999996 110.108 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -50.12 60.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 3.0800000000000001 110.262 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.56 74.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.956 -0.566 . . . . 2.2400000000000002 110.911 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 2.5600000000000001 110.706 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.25 85.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.18 0.514 . . . . 2.7599999999999998 109.757 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -49.47 -55.68 12.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.36 -0.837 . . . . 5.0999999999999996 110.27 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -36.93 93.23 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.889 -0.672 . . . . 3.27 112.247 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.523 0.201 . . . . 4.4100000000000001 111.321 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.351 -0.611 . . . . 4.8200000000000003 109.351 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -68.88 -46.0 69.54 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.601 -0.727 . . . . 4.4699999999999998 109.849 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -47.66 -50.33 25.0 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.342 -0.543 . . . . 1.29 109.666 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -50.71 -50.82 54.35 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.556 . . . . 3.2799999999999998 109.5 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.579 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.9 -56.39 21.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.943 -0.572 . . . . 5.04 109.832 178.565 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 1.274 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 1.1 m-20 -49.95 -43.66 50.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.278 -0.419 . . . . 2.1000000000000001 110.395 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -57.98 -54.25 49.02 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.298 0.571 . . . . 2.7200000000000002 110.192 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -55.94 -41.47 74.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.187 -0.672 . . . . 2.46 109.187 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.274 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -57.6 -46.74 83.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.988 -0.551 . . . . 2.4900000000000002 110.883 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 11.7 pt-20 -64.16 -55.65 20.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.382 -0.599 . . . . 3.0699999999999998 109.382 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.674 ' OE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -50.42 -39.22 46.75 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.299 -0.63 . . . . 2.5 109.299 178.237 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -65.54 -41.09 93.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.422 -0.808 . . . . 2.1200000000000001 109.767 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.844 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 49.5 t90 -53.07 -47.07 68.78 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.797 -0.445 . . . . 2.8799999999999999 109.797 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.674 HD13 ' OE1' ' A' ' 20' ' ' GLU . 48.0 mt -52.68 -59.9 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.396 0.617 . . . . 2.46 109.895 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -44.44 57.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.341 -0.845 . . . . 3.8999999999999999 111.161 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -47.95 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 3.4500000000000002 110.693 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.0 89.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 3.25 110.255 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -49.06 62.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.82 -0.437 . . . . 3.9900000000000002 109.82 179.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -32.02 73.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.075 0.464 . . . . 3.6299999999999999 109.964 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.39 -47.45 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.968 -0.56 . . . . 3.6499999999999999 110.11 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -36.97 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.988 0.423 . . . . 2.8599999999999999 109.921 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 m -55.96 -37.69 69.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.575 -0.739 . . . . 3.1200000000000001 110.28 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -80.39 -53.61 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 3.25 110.504 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 4.3700000000000001 110.381 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.732 0.301 . . . . 4.7400000000000002 110.451 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.1 -42.4 98.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 4.1299999999999999 110.094 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.18 -58.62 7.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.993 -0.548 . . . . 4.5999999999999996 110.769 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -36.79 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.369 -0.378 . . . . 6.1799999999999997 110.597 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.64 -42.6 98.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 4.71 110.123 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -62.02 -45.91 91.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.814 -0.63 . . . . 4.54 110.312 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.8 -50.46 73.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 4.0 110.438 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -44.22 81.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 3.6099999999999999 110.926 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -47.86 83.78 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.05 0.452 . . . . 4.8099999999999996 110.012 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.736 -0.666 . . . . 3.3700000000000001 109.5 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.47 -52.91 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.808 -0.633 . . . . 3.1699999999999999 110.732 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.13 79.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.079 0.466 . . . . 1.79 110.381 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.81 -52.57 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 2.6000000000000001 110.73 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.7 -44.01 66.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 3.1200000000000001 111.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.31 75.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.78 111.445 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.66 -21.42 48.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.036 -0.529 . . . . 1.8100000000000001 111.644 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.844 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -67.73 -31.18 70.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.011 0.375 . . . . 3.2599999999999998 112.011 -179.173 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.567 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 1.9 mp0 -60.15 -63.19 4.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.155 -0.618 . . . . 3.0099999999999998 109.65 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -62.44 -43.78 21.06 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.145 1.897 . . . . 1.97 112.104 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -55.78 27.36 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.611 -0.722 . . . . 1.72 112.375 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.41 -44.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 121.029 -0.268 . . . . 1.8500000000000001 111.324 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -49.88 14.7 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.716 -0.476 . . . . 4.1100000000000003 109.716 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.2 -48.73 39.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 1.54 111.401 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.515 HG11 ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.43 -47.14 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.104 0.478 . . . . 2.0699999999999998 109.952 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.515 ' N ' HG11 ' A' ' 66' ' ' VAL . 5.2 mp -55.86 -52.89 62.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.758 -0.655 . . . . 2.7999999999999998 110.454 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -53.34 -49.05 67.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 2.2400000000000002 110.444 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.3 m -56.03 -54.17 48.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.341 -0.39 . . . . 1.54 110.487 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.48 -42.39 75.44 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 120.431 -0.89 . . . . 1.05 111.777 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -59.23 -37.59 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.846 0.355 . . . . 3.6699999999999999 110.299 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -57.92 9.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.042 -0.526 . . . . 4.1299999999999999 110.63 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -38.58 62.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 2.1000000000000001 110.486 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -59.6 -51.77 68.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 2.0899999999999999 111.065 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.5 -44.41 62.52 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.794 0.33 . . . . 2.3399999999999999 111.222 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.09 14.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 2.8900000000000001 111.703 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 43.09 41.44 2.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.82 0.343 . . . . 5.0999999999999996 111.429 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -73.53 139.89 45.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.384 . . . . 5.3099999999999996 110.682 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.5 tt -57.67 116.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 4.9100000000000001 111.022 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.07 -23.61 8.59 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.07 -0.586 . . . . 3.2000000000000002 112.064 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -45.86 -40.68 10.26 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 111.618 0.229 . . . . 4.7199999999999998 111.618 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -57.19 -57.59 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.62 0.248 . . . . 3.23 110.819 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.464 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.2 tp10 -53.67 -45.52 70.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 2.9399999999999999 110.004 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 86.1 mt -56.06 -52.88 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 3.0 110.682 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -43.88 71.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.391 . . . . 3.7999999999999998 110.972 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.64 -49.27 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.551 -0.295 . . . . 3.8799999999999999 110.755 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -45.24 92.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 5.25 110.193 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.79 -45.76 74.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.847 -0.615 . . . . 2.5299999999999998 110.523 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.05 77.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 1.5600000000000001 110.537 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -35.44 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 3.3700000000000001 109.668 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.43 ' HE2' ' C ' ' A' ' 19' ' ' GLU . 19.6 t80 -59.52 -52.19 66.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.767 -0.651 . . . . 1.71 110.158 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.49 -52.05 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.818 -0.438 . . . . 1.8799999999999999 109.818 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -49.79 -54.08 21.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.006 178.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -52.61 -56.26 16.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.449 . . . . 3.2000000000000002 111.192 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -58.47 -34.36 70.78 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 120.623 -0.431 . . . . 3.6600000000000001 111.598 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.617 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -57.38 -44.91 84.86 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.422 -0.511 . . . . 3.3199999999999998 109.848 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.617 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 5.2 mm-40 -59.23 -47.93 83.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.99 0.424 . . . . 3.0299999999999998 110.138 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.98 -46.62 78.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 2.8900000000000001 110.179 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.72 -53.62 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.546 . . . . 4.4800000000000004 109.928 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -53.98 -50.55 66.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.265 -0.425 . . . . 4.0999999999999996 109.956 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.14 -47.88 65.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 3.0800000000000001 110.429 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.48 -49.38 61.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.271 -0.422 . . . . 2.2400000000000002 110.699 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.06 76.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 2.5600000000000001 110.283 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.68 83.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.902 -0.59 . . . . 2.7599999999999998 110.704 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -40.39 82.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 5.0999999999999996 110.307 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.88 83.08 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.914 -0.66 . . . . 3.27 111.776 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 4.4100000000000001 110.233 179.379 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 t60 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.478 0.18 . . . . 4.8200000000000003 111.442 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -56.8 -41.91 78.59 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.237 -0.185 . . . . 4.4699999999999998 110.854 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.48 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 19.9 t80 -56.25 -44.24 79.49 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.705 -0.85 . . . . 1.29 108.705 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -50.97 38.13 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.911 -0.774 . . . . 3.2799999999999998 108.911 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -56.2 -53.72 53.76 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.658 -0.701 . . . . 5.04 109.588 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 1.063 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 3.8 m-20 -48.97 -49.64 39.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.787 0.327 . . . . 2.1000000000000001 110.291 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 1.006 ' HA ' ' OE2' ' A' ' 19' ' ' GLU . 1.9 mmm -53.79 -52.66 59.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.118 0.485 . . . . 2.7200000000000002 109.952 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.05 -44.75 71.34 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.722 -0.672 . . . . 2.46 109.688 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -43.09 62.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 2.4900000000000002 110.738 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 1.27 ' OE1' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -66.99 -59.04 3.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.568 -0.53 . . . . 3.0699999999999998 109.568 178.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.55 -37.88 8.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.992 -0.744 . . . . 2.5 108.992 178.364 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -67.63 -45.68 74.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.374 -0.83 . . . . 2.1200000000000001 109.509 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.641 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 63.7 t90 -49.82 -43.74 48.92 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.298 -0.41 . . . . 2.8799999999999999 110.041 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -50.39 -59.71 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 2.46 109.85 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -43.65 70.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 3.8999999999999999 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -45.38 86.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.439 . . . . 3.4500000000000002 111.042 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -63.11 -50.6 69.85 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.632 -0.507 . . . . 3.25 109.632 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -50.29 -43.3 53.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.266 0.555 . . . . 3.9900000000000002 109.666 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -38.96 92.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.676 -0.693 . . . . 3.6299999999999999 110.3 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -43.86 95.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 3.6499999999999999 110.028 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -39.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.742 -0.663 . . . . 2.8599999999999999 110.526 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 3.1200000000000001 110.466 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 2.6 m -73.03 -43.54 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 3.25 110.595 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 32' ' ' SER . 3.8 mm-40 . . . . . 0 N--CA 1.475 0.81 0 O-C-N 124.571 1.169 . . . . 4.3700000000000001 110.571 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.104 0.478 . . . . 4.7400000000000002 110.358 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.765 -0.652 . . . . 4.1299999999999999 109.801 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.7 -56.76 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 4.5999999999999996 109.528 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -40.27 71.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.007 -0.542 . . . . 6.1799999999999997 109.724 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.97 96.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.663 -0.699 . . . . 4.71 110.187 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -58.36 -50.58 73.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.591 -0.522 . . . . 4.54 109.591 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.41 -53.97 31.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 4.0 110.502 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 1.241 ' CA ' ' OE1' ' A' ' 53' ' ' GLU . 2.1 mptp? -52.71 -48.04 66.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.959 0.409 . . . . 3.6099999999999999 110.345 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -58.6 -38.11 77.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 4.8099999999999996 110.201 179.355 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -53.4 58.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.621 -0.718 . . . . 3.3700000000000001 110.154 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 1.241 ' OE1' ' CA ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -51.11 -48.9 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 3.1699999999999999 110.407 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.25 63.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.431 . . . . 1.79 110.65 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.45 -49.2 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 2.6000000000000001 110.142 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.06 -39.74 56.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 3.1200000000000001 111.674 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.88 -48.73 75.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 1.78 111.49 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.66 -24.76 53.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 1.8100000000000001 111.481 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.641 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -73.86 -26.88 60.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.296 -0.411 . . . . 3.2599999999999998 111.59 -179.179 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.562 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -58.16 -62.39 5.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 119.022 -1.071 . . . . 3.0099999999999998 108.603 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 47.2 Cg_exo -57.94 -48.58 15.81 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.335 2.023 . . . . 1.97 112.342 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.83 -56.37 21.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.082 -0.508 . . . . 1.72 112.298 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CG1' ' O ' ' A' ' 59' ' ' HIS . 1.4 mm -55.14 -50.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 1.8500000000000001 110.403 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.71 -49.77 64.71 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.411 -0.359 . . . . 4.1100000000000003 110.318 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.96 -46.37 14.53 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.851 -0.69 . . . . 1.54 111.984 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 1.27 HG12 ' OE1' ' A' ' 19' ' ' GLU . 5.8 t -57.24 -57.77 8.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.006 0.431 . . . . 2.0699999999999998 110.126 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 tt -48.64 -51.47 28.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.95 -0.568 . . . . 2.7999999999999998 110.147 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -53.18 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 2.2400000000000002 110.647 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -56.65 -47.3 80.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.852 0.358 . . . . 1.54 110.436 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.48 -42.73 84.56 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.482 -0.866 . . . . 1.05 111.666 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -58.52 -39.9 81.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.832 0.348 . . . . 3.6699999999999999 110.513 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.32 -54.69 15.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.12 -0.491 . . . . 4.1299999999999999 110.688 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.21 -48.29 71.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 2.1000000000000001 110.55 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -45.04 65.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 2.0899999999999999 110.766 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -40.12 94.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 2.3399999999999999 110.84 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 5.4 m-20 -61.91 -46.98 86.97 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.605 -0.517 . . . . 2.8900000000000001 109.605 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -167.56 136.95 2.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.387 -0.824 . . . . 5.0999999999999996 109.618 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.9 HG21 ' OE2' ' A' ' 82' ' ' GLU . 4.0 m -89.21 -39.64 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 5.3099999999999996 111.107 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mm -56.82 99.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.048 -0.524 . . . . 4.9100000000000001 110.946 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.99 -36.59 3.39 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 115.959 -0.564 . . . . 3.2000000000000002 112.279 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -25.94 58.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.396 0.147 . . . . 4.7199999999999998 111.396 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.9 ' OE2' HG21 ' A' ' 78' ' ' THR . 65.8 mm-40 -40.51 -47.24 2.63 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.706 -0.224 . . . . 3.23 111.284 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.1 -59.98 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 2.9399999999999999 110.665 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.7 mt -55.43 -44.72 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 3.0 110.254 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -42.56 70.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 3.7999999999999998 110.587 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -49.71 76.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.863 0.363 . . . . 3.8799999999999999 110.206 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -61.52 -47.34 86.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 5.25 110.127 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.8 tp -55.63 -43.1 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 2.5299999999999998 110.185 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.01 78.29 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.176 -0.466 . . . . 1.5600000000000001 110.058 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.65 -43.3 94.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 3.3700000000000001 109.9 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -56.16 -49.1 74.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.07 -0.514 . . . . 1.71 109.816 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.84 -52.94 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.456 -0.338 . . . . 1.8799999999999999 110.691 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.792 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.11 -52.31 44.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 1.71 110.411 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.792 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 11.0 m-70 -55.39 -52.92 61.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.072 0.463 . . . . 3.2000000000000002 109.962 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 59' ' ' HIS . 56.8 t-105 -51.27 -44.9 61.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.696 -0.684 . . . . 3.6600000000000001 110.042 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -54.21 -55.43 28.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.419 -0.809 . . . . 3.3199999999999998 110.189 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -43.84 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 3.0299999999999998 110.148 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -52.99 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 2.8900000000000001 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -57.87 -43.65 86.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 4.4800000000000004 109.99 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -53.41 58.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 4.0999999999999996 110.261 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.51 -49.16 65.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 3.0800000000000001 110.095 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.56 58.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.926 -0.579 . . . . 2.2400000000000002 110.733 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.16 -48.55 70.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 2.5600000000000001 110.747 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.02 81.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.993 -0.549 . . . . 2.7599999999999998 110.576 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.63 98.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 5.0999999999999996 110.553 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.0 97.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.782 -0.723 . . . . 3.27 111.787 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.957 0.408 . . . . 4.4100000000000001 110.272 179.613 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.473 ' CD2' HE22 ' A' ' 11' ' ' GLN . 1.5 t60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.879 0.371 . . . . 4.8200000000000003 110.437 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.473 HE22 ' CD2' ' A' ' 10' ' ' HIS . 1.3 mp0 -66.04 -29.97 70.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 4.4699999999999998 110.22 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.405 ' CE1' ' HB ' ' A' ' 69' ' ' THR . 80.4 t80 -58.03 -50.49 73.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.397 -0.594 . . . . 1.29 109.397 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -50.43 56.56 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.77 -0.455 . . . . 3.2799999999999998 109.77 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -54.72 -53.98 47.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 5.04 110.037 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -50.98 -50.04 59.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 2.1000000000000001 110.223 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -54.24 36.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.304 -0.407 . . . . 2.7200000000000002 110.61 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.74 -48.11 72.99 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.243 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -46.32 61.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 2.4900000000000002 110.584 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.642 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 5.2 mm-40 -65.25 -58.46 5.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 3.0699999999999998 109.786 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -40.32 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 2.5 109.729 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 t -67.08 -47.03 72.47 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.345 -0.613 . . . . 2.1200000000000001 109.345 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 47.4 t90 -49.4 -45.45 46.13 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.064 -0.516 . . . . 2.8799999999999999 109.805 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.4 mm -45.96 -59.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.035 0.445 . . . . 2.46 110.343 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -55.8 -46.49 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 3.8999999999999999 110.675 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -35.88 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 3.4500000000000002 110.962 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -55.03 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 3.25 110.557 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.16 -37.26 61.71 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.883 0.373 . . . . 3.9900000000000002 110.432 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 tt -70.9 -35.73 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 3.6299999999999999 110.223 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.07 -45.36 95.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.964 -0.562 . . . . 3.6499999999999999 110.644 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.12 -47.78 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 2.8599999999999999 110.446 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m -53.49 -33.25 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 3.1200000000000001 111.092 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 m -80.8 -52.6 7.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 3.25 111.401 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-N 115.988 -0.551 . . . . 4.3700000000000001 111.376 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.183 0.516 . . . . 4.7400000000000002 110.033 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.9 -36.67 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 4.1299999999999999 110.224 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.57 -57.32 11.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 4.5999999999999996 110.006 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -48.55 -42.45 33.48 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.123 -0.49 . . . . 6.1799999999999997 110.569 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -43.29 85.07 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.076 -0.511 . . . . 4.71 110.45 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.36 -41.81 94.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 4.54 110.22 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -55.63 32.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 4.0 110.375 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -53.29 -42.45 66.62 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.15 -0.477 . . . . 3.6099999999999999 110.509 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -38.44 91.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 4.8099999999999996 109.972 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -53.66 55.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 3.3700000000000001 110.731 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.45 -49.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.389 -0.368 . . . . 3.1699999999999999 110.771 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.84 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.151 0.5 . . . . 1.79 110.143 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE2' ' CE1' ' A' ' 59' ' ' HIS . 23.2 tp10 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.467 -0.788 . . . . 2.6000000000000001 110.512 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' CG ' ' HZ2' ' A' ' 99' ' ' LYS . 5.7 tt -56.23 -39.28 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 3.1200000000000001 111.916 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.81 -52.75 62.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.114 -0.493 . . . . 1.78 112.251 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.72 -23.88 42.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.8100000000000001 112.065 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.713 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 6.7 m80 -72.88 -25.51 61.11 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 3.2599999999999998 112.503 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.533 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -65.52 -61.4 5.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.253 -0.647 . . . . 3.0099999999999998 109.253 179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 31.8 Cg_exo -58.54 -40.87 70.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.116 1.877 . . . . 1.97 112.158 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.39 -61.23 2.73 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.519 0.563 . . . . 1.72 112.519 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.584 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 1.6 mp -68.97 -40.18 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.675 -0.239 . . . . 1.8500000000000001 111.315 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -56.65 -52.24 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.641 0.258 . . . . 4.1100000000000003 110.664 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.2 -45.36 10.32 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.766 -0.731 . . . . 1.54 111.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.95 -58.59 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.899 0.381 . . . . 2.0699999999999998 110.173 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tt -46.72 -48.67 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 2.7999999999999998 110.659 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -55.24 30.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 2.2400000000000002 110.959 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.405 ' HB ' ' CE1' ' A' ' 12' ' ' PHE . 5.5 m -58.03 -44.01 87.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.936 0.398 . . . . 1.54 110.119 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.724 -0.75 . . . . 1.05 111.448 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -60.44 -37.02 79.62 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.851 -0.426 . . . . 3.6699999999999999 109.851 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -50.81 70.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.846 -0.616 . . . . 4.1299999999999999 110.085 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.01 -49.66 11.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.154 0.502 . . . . 2.1000000000000001 110.474 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -50.52 -48.99 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.771 -0.649 . . . . 2.0899999999999999 111.785 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -57.16 -43.77 82.87 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.157 0.428 . . . . 2.3399999999999999 112.157 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -83.65 -16.04 46.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.703 0.261 . . . . 2.8900000000000001 111.703 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 66.54 109.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 5.0999999999999996 110.498 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.418 ' H ' ' HD3' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -146.93 143.28 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 5.3099999999999996 110.651 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 pt -65.99 113.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.364 -0.38 . . . . 4.9100000000000001 110.688 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.25 -28.12 4.62 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.551 -0.62 . . . . 3.2000000000000002 111.551 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 78' ' ' THR . 11.9 pttm -47.33 -45.91 24.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 4.7199999999999998 111.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -54.09 -58.11 8.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 3.23 111.182 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.39 -39.99 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.039 0.447 . . . . 2.9399999999999999 110.092 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 84' ' ' ILE . 12.3 mm -55.26 -50.92 60.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 3.0 110.061 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -48.35 67.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 3.7999999999999998 110.641 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.18 -51.08 70.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 3.8799999999999999 110.377 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -58.26 -47.36 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 5.25 110.661 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.6 tp -57.19 -41.68 79.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 2.5299999999999998 110.704 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.48 75.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 1.5600000000000001 110.262 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.03 -39.74 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.646 . . . . 3.3700000000000001 109.377 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CZ ' ' HB3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -54.86 -54.34 43.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.34 -0.845 . . . . 1.71 110.116 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.4 -53.26 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 1.8799999999999999 111.371 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.87 -44.49 86.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.703 0.287 . . . . 1.71 111.233 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.44 -48.91 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.555 -0.293 . . . . 3.2000000000000002 110.878 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.479 ' CD1' ' HH2' ' A' ' 22' ' ' TRP . 20.4 t90 -67.94 -34.03 75.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.44 -0.346 . . . . 3.6600000000000001 110.153 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -50.42 74.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 3.3199999999999998 110.262 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.71 -49.47 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 3.0299999999999998 110.361 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.21 -42.07 85.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.797 -0.638 . . . . 2.8900000000000001 111.049 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.406 ' HZ2' ' CG ' ' A' ' 56' ' ' LEU . 3.7 mmtp -61.23 -48.67 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.131 -0.322 . . . . 4.4800000000000004 110.131 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -56.17 -52.01 65.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.391 . . . . 4.0999999999999996 110.386 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.23 -46.84 82.61 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.256 -0.429 . . . . 3.0800000000000001 110.575 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.39 78.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 2.2400000000000002 110.954 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 2.5600000000000001 110.873 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.89 91.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.275 -0.421 . . . . 2.7599999999999998 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -42.51 98.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 5.0999999999999996 110.656 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.36 -35.24 91.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.082 -0.58 . . . . 3.27 112.241 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.689 0.28 . . . . 4.4100000000000001 110.747 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m80 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.098 0.475 . . . . 4.8200000000000003 109.865 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -60.19 -42.81 95.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.717 -0.674 . . . . 4.4699999999999998 110.068 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -48.9 -51.17 31.47 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.425 -0.352 . . . . 1.29 110.978 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -48.59 -50.41 32.59 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.531 -0.468 . . . . 3.2799999999999998 109.908 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -60.71 -48.91 79.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.889 -0.596 . . . . 5.04 110.087 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.51 -42.84 64.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.363 . . . . 2.1000000000000001 110.398 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.504 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 4.7 tpt -59.58 -58.42 8.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 2.7200000000000002 110.125 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.13 -44.59 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.741 -0.466 . . . . 2.46 109.741 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.52 -50.06 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 2.4900000000000002 110.683 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.588 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 13.2 pt-20 -62.33 -54.43 40.67 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.832 -0.433 . . . . 3.0699999999999998 109.832 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.588 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -48.3 -40.52 25.28 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.486 -0.561 . . . . 2.5 109.486 178.366 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.24 90.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.962 -0.563 . . . . 2.1200000000000001 109.861 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.643 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 22.1 t90 -48.77 -45.04 39.35 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 110.325 -0.25 . . . . 2.8799999999999999 110.325 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.413 ' HA ' ' CE3' ' A' ' 22' ' ' TRP . 71.3 mt -52.33 -60.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.03 0.443 . . . . 2.46 110.315 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -53.9 -37.92 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 3.8999999999999999 110.826 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -51.1 70.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.123 -0.49 . . . . 3.4500000000000002 110.547 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -59.52 -48.72 80.58 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.573 -0.528 . . . . 3.25 109.573 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -49.48 -47.61 48.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.19 -0.459 . . . . 3.9900000000000002 110.186 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -37.52 84.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.008 -0.542 . . . . 3.6299999999999999 110.154 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.89 82.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 3.6499999999999999 110.553 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.05 -48.94 63.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 2.8599999999999999 110.687 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 p -51.12 -34.47 30.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.121 -0.491 . . . . 3.1200000000000001 110.628 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -40.61 25.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 3.25 111.001 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 1.144 ' OE2' ' NH1' ' A' ' 51' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 4.3700000000000001 110.465 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.036 0.446 . . . . 4.7400000000000002 110.811 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.61 68.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 4.1299999999999999 110.365 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -56.64 10.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.69 -0.485 . . . . 4.5999999999999996 109.69 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -53.03 -38.74 62.64 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.14 -0.482 . . . . 6.1799999999999997 110.033 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -55.51 32.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 4.71 109.927 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -54.5 -45.72 73.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 4.54 109.929 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CE1' ' OE2' ' A' ' 53' ' ' GLU . 75.6 t60 -52.63 -49.89 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 4.0 110.515 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -44.97 51.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.349 -0.387 . . . . 3.6099999999999999 110.397 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 1.144 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 17.7 ttp180 -67.19 -36.67 82.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 4.8099999999999996 110.178 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.86 -45.92 90.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.851 -0.613 . . . . 3.3700000000000001 110.187 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.823 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -50.49 -54.69 20.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.898 -0.408 . . . . 3.1699999999999999 109.898 179.01 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.65 63.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.991 -0.55 . . . . 1.79 109.974 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 6.0 mt-10 -49.71 -54.58 17.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 2.6000000000000001 110.367 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.497 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 51.9 mt -55.24 -34.57 64.1 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.962 -0.563 . . . . 3.1200000000000001 111.737 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -68.79 -31.59 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 1.78 111.78 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.65 -19.66 60.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.326 0.491 . . . . 1.8100000000000001 112.326 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.643 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 43.6 m80 -63.79 -41.99 97.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.371 . . . . 3.2599999999999998 110.886 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 8.4 tp10 -58.64 -61.64 7.27 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 3.0099999999999998 110.705 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 19.7 Cg_endo -60.06 -46.61 18.3 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.608 2.206 . . . . 1.97 113.551 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.26 69.63 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.301 0.852 . . . . 1.72 113.301 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.7 mt -80.24 -41.8 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.03 -0.268 . . . . 1.8500000000000001 111.692 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -52.78 -50.67 63.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 121.25 -0.18 . . . . 4.1100000000000003 110.756 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.45 -48.92 8.59 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 120.506 -0.854 . . . . 1.54 111.868 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' CG1' ' SD ' ' A' ' 16' ' ' MET . 17.2 t -59.69 -55.13 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 2.0699999999999998 110.754 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.55 -49.18 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 2.7999999999999998 110.929 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.13 -51.15 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 2.2400000000000002 110.907 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.5 m -60.69 -47.02 88.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.954 -0.298 . . . . 1.54 110.415 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.31 -40.86 92.57 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.624 -0.798 . . . . 1.05 112.299 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -58.55 -43.17 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.762 -0.459 . . . . 3.6699999999999999 109.762 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -47.66 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.725 -0.671 . . . . 4.1299999999999999 109.577 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.31 -45.75 45.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.668 -0.696 . . . . 2.1000000000000001 110.292 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -54.19 -57.2 12.05 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.062 -0.517 . . . . 2.0899999999999999 111.067 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.94 -32.7 66.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 2.3399999999999999 110.978 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.67 -25.75 38.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 2.8900000000000001 111.238 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.94 84.02 2.19 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.364 -0.38 . . . . 5.0999999999999996 110.869 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -54.16 38.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 5.3099999999999996 110.506 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 tp -95.61 104.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 4.9100000000000001 110.578 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.34 -31.5 2.51 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.95 -0.643 . . . . 3.2000000000000002 112.17 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -47.34 -39.27 14.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.509 0.195 . . . . 4.7199999999999998 111.423 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -51.81 -51.63 55.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 3.23 111.113 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -52.42 -53.25 47.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.906 0.384 . . . . 2.9399999999999999 110.351 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.2 mt -54.66 -47.95 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 3.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -54.17 -44.18 71.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 3.7999999999999998 110.292 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 2.0 tp-100 -60.08 -48.97 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.015 -0.365 . . . . 3.8799999999999999 110.015 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -57.59 -50.03 74.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 5.25 110.486 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 tt -58.14 -40.72 82.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 2.5299999999999998 110.158 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.63 -34.37 64.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.951 -0.568 . . . . 1.5600000000000001 110.71 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -67.05 -45.2 78.12 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.778 -0.452 . . . . 3.3700000000000001 109.778 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -52.94 -49.42 66.07 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.151 -0.477 . . . . 1.71 109.795 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 t -56.08 -50.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.997 -0.547 . . . . 1.8799999999999999 110.32 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 8.1 t70 -52.23 -47.86 65.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 1.71 109.896 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -52.19 -58.56 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 3.2000000000000002 109.961 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -55.08 -41.93 72.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.353 -0.385 . . . . 3.6600000000000001 110.39 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -50.99 -48.11 61.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.279 -0.419 . . . . 3.3199999999999998 109.972 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -39.87 91.38 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.643 -0.503 . . . . 3.0299999999999998 109.643 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.5 -42.53 78.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.588 . . . . 2.8900000000000001 110.19 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -55.39 -55.54 30.46 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.257 -0.645 . . . . 4.4800000000000004 109.257 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -52.56 29.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 4.0999999999999996 109.854 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.88 -50.08 47.21 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 116.124 -0.489 . . . . 3.0800000000000001 110.292 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.91 73.82 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.048 -0.524 . . . . 2.2400000000000002 110.46 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.42 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.971 -0.559 . . . . 2.5600000000000001 110.029 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.36 69.85 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.885 -0.598 . . . . 2.7599999999999998 110.157 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.66 71.22 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.245 -0.65 . . . . 5.0999999999999996 109.245 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.61 -37.57 61.38 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.984 -0.626 . . . . 3.27 111.95 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.038 0.447 . . . . 4.4100000000000001 109.893 179.324 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.925 0.393 . . . . 4.8200000000000003 110.683 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -67.64 -40.62 84.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 4.4699999999999998 109.558 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 35.8 t80 -47.48 -46.9 27.52 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.026 -0.534 . . . . 1.29 109.984 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.439 ' CE2' HG13 ' A' ' 84' ' ' ILE . 14.9 m-85 -50.94 -51.82 48.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.611 -0.436 . . . . 3.2799999999999998 110.161 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -61.8 -51.2 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 5.04 111.258 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 16' ' ' MET . 6.2 p30 -59.81 -35.12 74.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.202 -0.599 . . . . 2.1000000000000001 111.4 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.443 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.5 ttp -65.29 -53.24 47.02 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.866 0.365 . . . . 2.7200000000000002 110.317 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.3 -48.92 70.75 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.0 -0.546 . . . . 2.46 110.339 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.09 -49.52 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 2.4900000000000002 110.438 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 1.093 ' OE2' HD12 ' A' ' 63' ' ' ILE . 2.9 tm-20 -61.76 -59.22 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.965 0.412 . . . . 3.0699999999999998 110.216 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 1.496 ' OE1' ' CD2' ' A' ' 91' ' ' PHE . 1.2 tp10 -50.37 -35.15 26.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.392 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.12 -43.51 91.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.634 -0.506 . . . . 2.1200000000000001 109.634 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -62.37 -43.82 97.92 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.036 -0.529 . . . . 2.8799999999999999 110.16 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -59.57 -50.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.146 -0.479 . . . . 2.46 110.404 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 36.9 mtmm -57.95 -47.95 81.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.78 0.324 . . . . 3.8999999999999999 111.142 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.08 -43.78 95.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.352 -0.385 . . . . 3.4500000000000002 110.959 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -46.25 71.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.013 -0.54 . . . . 3.25 110.733 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -54.99 -40.12 69.74 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.63 -0.507 . . . . 3.9900000000000002 109.63 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.41 -43.9 92.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.916 -0.584 . . . . 3.6299999999999999 110.026 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -44.62 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 3.6499999999999999 110.276 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.32 -43.95 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 2.8599999999999999 110.629 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -54.21 -36.85 63.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.379 -0.373 . . . . 3.1200000000000001 110.485 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -73.61 -47.19 42.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 3.25 110.155 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.578 -0.737 . . . . 4.3700000000000001 111.16 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.931 0.396 . . . . 4.7400000000000002 110.408 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.57 -47.93 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.575 . . . . 4.1299999999999999 110.449 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -47.41 85.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.067 -0.515 . . . . 4.5999999999999996 110.054 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -52.69 -43.48 65.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 6.1799999999999997 110.331 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -53.24 -51.69 61.38 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.995 0.426 . . . . 4.71 110.149 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.03 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.773 -0.649 . . . . 4.54 110.398 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -56.02 -38.15 70.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.902 -0.59 . . . . 4.0 110.697 179.631 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -51.59 -46.17 63.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.318 -0.401 . . . . 3.6099999999999999 110.72 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -62.74 -42.9 99.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 4.8099999999999996 109.669 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -52.12 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.602 -0.726 . . . . 3.3700000000000001 110.293 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -51.07 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.032 -0.531 . . . . 3.1699999999999999 110.602 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.11 67.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.996 0.427 . . . . 1.79 110.34 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -52.18 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 2.6000000000000001 110.045 178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' HG ' ' CH2' ' A' ' 95' ' ' TRP . 2.4 tp -49.2 -37.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.547 -0.751 . . . . 3.1200000000000001 111.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 1.78 111.464 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.0 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.8100000000000001 111.912 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.518 ' O ' HG12 ' A' ' 63' ' ' ILE . 6.6 m-70 -63.67 -45.17 91.35 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.74 -0.384 . . . . 3.2599999999999998 111.124 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -38.68 -64.35 0.49 Allowed Pre-proline 0 N--CA 1.466 0.356 0 C-N-CA 121.009 -0.277 . . . . 3.0099999999999998 110.595 -178.45 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 73.0 Cg_exo -44.96 -44.94 14.51 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.458 2.106 . . . . 1.97 112.566 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.57 45.2 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.552 0.575 . . . . 1.72 112.552 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 1.093 HD12 ' OE2' ' A' ' 19' ' ' GLU . 1.4 mm -76.05 -49.86 24.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.591 0.234 . . . . 1.8500000000000001 110.554 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -58.74 -52.36 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.528 -0.545 . . . . 4.1100000000000003 109.528 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.44 -50.03 30.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.598 -0.81 . . . . 1.54 111.721 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -54.71 -54.94 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-O 120.795 0.331 . . . . 2.0699999999999998 110.229 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tt -49.17 -53.36 21.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 2.7999999999999998 110.64 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.838 ' OD1' ' N ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -52.6 -50.45 63.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.362 -0.381 . . . . 2.2400000000000002 110.811 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.838 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.9 m -58.89 -47.66 84.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.806 0.336 . . . . 1.54 110.683 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.92 -40.0 64.05 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.718 -0.753 . . . . 1.05 111.964 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -40.11 69.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.977 0.418 . . . . 3.6699999999999999 109.932 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -65.75 -48.93 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 4.1299999999999999 109.778 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mp -48.05 -42.65 28.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 2.1000000000000001 110.305 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 m -50.61 -56.04 13.59 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.081 -0.509 . . . . 2.0899999999999999 110.471 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.519 . . . . 2.3399999999999999 110.832 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.79 -30.54 68.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.983 -0.553 . . . . 2.8900000000000001 110.933 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 10.5 t-20 56.81 -125.15 1.87 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.13 -0.486 . . . . 5.0999999999999996 111.367 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.9 m 66.76 61.6 0.53 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.013 0.435 . . . . 5.3099999999999996 111.478 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 80' ' ' GLY . 4.0 mp 38.53 -108.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 115.66 -0.7 . . . . 4.9100000000000001 112.419 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 79' ' ' ILE . . . -14.95 -57.8 0.01 OUTLIER Glycine 0 CA--C 1.527 0.834 0 N-CA-C 115.959 1.144 . . . . 3.2000000000000002 115.959 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 13.0 mttp -47.22 -33.93 5.9 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.027 0.751 . . . . 4.7199999999999998 113.027 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -54.16 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 3.23 110.528 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.08 -47.69 65.06 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.705 -0.479 . . . . 2.9399999999999999 109.705 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.439 HG13 ' CE2' ' A' ' 13' ' ' PHE . 3.4 mm -55.86 -49.32 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 3.0 110.015 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -51.54 48.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 3.7999999999999998 110.55 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.378 -0.374 . . . . 3.8799999999999999 110.464 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -59.18 -47.5 85.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 5.25 110.529 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.2 -42.72 77.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 2.5299999999999998 110.348 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.12 76.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 1.5600000000000001 110.565 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -71.62 -38.36 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.448 -0.575 . . . . 3.3700000000000001 109.448 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 1.496 ' CD2' ' OE1' ' A' ' 20' ' ' GLU . 14.4 t80 -56.11 -49.51 73.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.332 -0.618 . . . . 1.71 109.332 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t -51.93 -52.61 21.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.221 -0.445 . . . . 1.8799999999999999 110.265 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.04 -54.78 18.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.143 0.497 . . . . 1.71 109.949 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.79 -53.78 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 3.2000000000000002 110.25 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.42 ' CH2' ' HG ' ' A' ' 56' ' ' LEU . 66.3 t-105 -51.56 -45.64 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 3.6600000000000001 110.312 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -52.46 55.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.724 . . . . 3.3199999999999998 111.179 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -45.54 86.75 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.792 0.33 . . . . 3.0299999999999998 110.74 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -47.13 87.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 2.8900000000000001 110.684 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -46.66 81.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 4.4800000000000004 110.036 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.422 ' NE2' ' N ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -54.45 -55.37 29.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 4.0999999999999996 109.892 178.653 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' N ' ' NE2' ' A' ' 100' ' ' GLN . 0.4 OUTLIER -50.24 -48.18 54.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.506 . . . . 3.0800000000000001 110.594 179.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.85 74.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 2.2400000000000002 110.635 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.22 66.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 2.5600000000000001 110.668 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.0 94.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.492 . . . . 2.7599999999999998 110.472 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 49' ' ' HIS . 16.1 mmt180 -60.64 -33.52 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 5.0999999999999996 110.988 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.69 -30.49 63.92 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.78 -0.724 . . . . 3.27 112.0 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.763 0.316 . . . . 4.4100000000000001 110.815 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.822 0.344 . . . . 4.8200000000000003 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.67 ' NE2' ' H ' ' A' ' 11' ' ' GLN . 2.4 mp0 -58.99 -55.57 33.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 4.4699999999999998 110.251 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 20.1 t80 -50.39 -47.35 56.4 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.79 -0.448 . . . . 1.29 109.79 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.83 -54.15 42.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.305 -0.628 . . . . 3.2799999999999998 109.305 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.529 ' NH2' ' HB3' ' A' ' 17' ' ' ASP . 3.1 tpm_? -50.79 -55.63 15.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 5.04 110.207 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.29 -51.13 47.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.892 0.377 . . . . 2.1000000000000001 110.115 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -50.7 60.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.173 0.511 . . . . 2.7200000000000002 110.025 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' NH2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -53.24 -56.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 2.46 110.173 179.016 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -53.47 -36.5 61.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.974 0.416 . . . . 2.4900000000000002 110.245 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.6 tt0 -63.56 -59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 3.0699999999999998 109.607 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' CB ' HH22 ' A' ' 87' ' ' ARG . 9.1 tp10 -45.49 -42.49 10.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.629 -0.878 . . . . 2.5 108.629 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.34 56.0 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 2.1200000000000001 109.241 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 11.2 t90 -50.74 -41.08 56.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.879 -0.6 . . . . 2.8799999999999999 110.532 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -57.11 -48.86 81.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.991 0.424 . . . . 2.46 109.93 179.163 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 14.1 mmtm -60.11 -45.43 93.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.467 . . . . 3.8999999999999999 109.835 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -37.4 83.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 3.4500000000000002 110.315 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -61.84 -55.5 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.69 -0.687 . . . . 3.25 109.224 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -41.64 63.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.07 0.462 . . . . 3.9900000000000002 110.232 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.65 -45.1 81.8 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.018 -0.537 . . . . 3.6299999999999999 110.829 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.03 -49.01 72.65 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.029 0.443 . . . . 3.6499999999999999 110.014 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.58 -36.64 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 2.8599999999999999 110.608 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -24.13 58.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 3.1200000000000001 111.38 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -81.09 -44.0 18.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.062 0.393 . . . . 3.25 112.062 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -77.75 50.37 0.84 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.4 0.519 . . . . 4.3700000000000001 112.4 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.9 -45.66 0.79 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.859 0.361 . . . . 4.9000000000000004 111.153 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.05 118.03 7.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 9.8000000000000007 111.285 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.04 50.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.824 -0.703 . . . . 5.1699999999999999 112.58 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.444 ' HE ' ' CG ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER 71.32 118.7 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.763 0.316 . . . . 7.8799999999999999 111.022 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' CG ' ' HE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -39.39 -53.18 2.03 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.275 -0.42 . . . . 5.96 112.09 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -40.43 -42.9 1.69 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.039 0.385 . . . . 5.7300000000000004 112.039 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -92.69 -28.13 16.84 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.887 -0.142 . . . . 4.3499999999999996 111.038 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.3 -44.75 1.69 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.869 -0.682 . . . . 4.2800000000000002 112.408 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 p -55.46 -55.84 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.956 0.408 . . . . 4.8200000000000003 110.551 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -63.68 -25.34 68.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 4.7400000000000002 110.33 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 19.3 t-20 -69.67 -41.62 75.24 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.011 -0.541 . . . . 4.1299999999999999 110.148 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.62 -50.21 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.35 -0.611 . . . . 4.5999999999999996 109.35 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -56.56 -45.2 81.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 6.1799999999999997 110.825 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -65.68 -37.68 87.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.758 0.313 . . . . 4.71 110.192 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -60.45 -49.27 78.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 4.54 109.856 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.45 ' CD2' ' HZ2' ' A' ' 50' ' ' LYS . 17.8 t60 -49.69 -55.46 13.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 4.0 110.514 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HZ2' ' CD2' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -50.04 -48.97 52.54 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.333 -0.394 . . . . 3.6099999999999999 110.81 179.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -65.23 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 4.8099999999999996 110.405 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.23 -48.13 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 3.3700000000000001 110.525 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.94 -52.45 64.09 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.953 -0.299 . . . . 3.1699999999999999 110.243 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.5 75.13 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.041 0.448 . . . . 1.79 109.915 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -52.31 -56.88 11.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.566 -0.743 . . . . 2.6000000000000001 110.553 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -40.86 14.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.946 -0.57 . . . . 3.1200000000000001 111.656 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.35 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 1.78 110.889 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.06 -26.35 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 1.8100000000000001 112.079 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.616 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 2.7 m80 -76.32 -24.12 54.31 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.818 -0.173 . . . . 3.2599999999999998 111.183 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -65.21 -61.02 6.69 Favored Pre-proline 0 C--N 1.331 -0.208 0 N-CA-C 110.108 -0.33 . . . . 3.0099999999999998 110.108 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 52.5 Cg_exo -56.07 -39.92 88.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.394 2.063 . . . . 1.97 111.834 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.68 -57.64 11.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.916 -0.583 . . . . 1.72 111.386 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.607 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 3.4 mt -62.4 -45.49 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 1.8500000000000001 110.907 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.51 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 4.1100000000000003 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.18 -50.89 12.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 1.54 111.893 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.505 HG11 ' N ' ' A' ' 67' ' ' LEU . 1.1 t -61.32 -47.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.067 0.46 . . . . 2.0699999999999998 109.977 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.505 ' N ' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -50.0 -52.11 36.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 2.7999999999999998 110.581 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.55 -49.22 75.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.354 -0.385 . . . . 2.2400000000000002 110.125 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -53.1 -48.49 67.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.346 -0.388 . . . . 1.54 110.159 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.06 73.76 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.564 -0.827 . . . . 1.05 111.507 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -42.5 65.69 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.424 -0.584 . . . . 3.6699999999999999 109.424 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -54.43 46.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.814 -0.63 . . . . 4.1299999999999999 109.616 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' CD2' ' CD2' ' A' ' 12' ' ' PHE . 8.3 mp -43.88 -44.96 7.28 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.841 -0.618 . . . . 2.1000000000000001 110.051 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -57.64 9.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.737 -0.665 . . . . 2.0899999999999999 110.58 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -25.57 66.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 2.3399999999999999 111.364 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.57 -13.18 30.08 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.544 0.572 . . . . 2.8900000000000001 112.544 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -153.1 -59.0 0.14 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.386 0.513 . . . . 5.0999999999999996 112.386 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 70.85 -70.33 0.16 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.404 0.44 . . . . 5.3099999999999996 110.464 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.9 mt -57.72 93.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.054 0 CA-C-N 115.89 -0.595 . . . . 4.9100000000000001 110.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.94 -61.59 0.66 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.651 -0.979 . . . . 3.2000000000000002 110.651 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.82 -32.5 8.85 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.679 0.276 . . . . 4.7199999999999998 110.922 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.13 -41.11 12.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.696 0.284 . . . . 3.23 110.95 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HG3' ' H ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -62.28 -43.36 99.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.956 0.407 . . . . 2.9399999999999999 110.578 179.534 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.448 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 17.7 mt -60.13 -42.27 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 3.0 109.892 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.15 -48.42 53.84 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.646 -0.502 . . . . 3.7999999999999998 109.646 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -53.02 -50.1 64.92 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.13 -0.486 . . . . 3.8799999999999999 110.015 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.459 HH22 ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -58.96 -46.85 87.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 5.25 109.893 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.42 -29.61 67.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.925 -0.579 . . . . 2.5299999999999998 109.982 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.15 -32.86 62.44 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.844 -0.428 . . . . 1.5600000000000001 109.844 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' A' ' 94' ' ' HIS . 0.9 OUTLIER -65.34 -43.92 89.39 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.423 -0.584 . . . . 3.3700000000000001 109.423 178.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.607 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 7.8 t80 -52.21 -54.04 35.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.51 -0.768 . . . . 1.71 110.219 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.7 t -57.27 -49.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.745 -0.661 . . . . 1.8799999999999999 110.071 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -49.45 61.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.544 . . . . 1.71 110.549 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.447 ' CG ' ' NE2' ' A' ' 90' ' ' GLN . 0.1 OUTLIER -55.6 -53.79 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 3.2000000000000002 110.339 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -55.52 -43.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 3.6600000000000001 110.262 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -52.03 50.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 3.3199999999999998 110.399 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -47.04 82.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.145 0.498 . . . . 3.0299999999999998 110.273 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.771 -0.65 . . . . 2.8900000000000001 110.488 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -52.07 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 4.4800000000000004 110.313 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.47 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -53.4 -47.87 69.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 4.0999999999999996 110.604 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.47 ' N ' ' HG2' ' A' ' 100' ' ' GLN . 0.6 OUTLIER -57.85 -49.61 76.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.505 -0.316 . . . . 3.0800000000000001 110.6 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.93 77.89 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.347 -0.388 . . . . 2.2400000000000002 110.866 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.35 76.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 2.5600000000000001 110.663 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.46 72.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 2.7599999999999998 110.32 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -53.38 -48.86 68.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 5.0999999999999996 110.775 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.63 89.57 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.896 -0.668 . . . . 3.27 112.333 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.625 0.25 . . . . 4.4100000000000001 111.024 179.874 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.743 0.306 . . . . 4.8200000000000003 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.66 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -61.11 -38.69 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.928 -0.397 . . . . 4.4699999999999998 109.928 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 68.4 t80 -51.08 -49.22 61.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.29 110.055 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CZ ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -49.11 -53.37 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 3.2799999999999998 110.534 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.19 86.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.312 -0.404 . . . . 5.04 110.432 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.66 ' OD2' ' O ' ' A' ' 11' ' ' GLN . 14.5 m-20 -55.65 -45.82 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 2.1000000000000001 110.288 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.478 ' SD ' ' HG2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.07 -54.24 42.11 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.729 -0.471 . . . . 2.7200000000000002 109.729 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.54 -51.58 64.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.882 -0.599 . . . . 2.46 109.693 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.05 -45.46 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 2.4900000000000002 110.437 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.439 ' CG ' ' CE2' ' A' ' 91' ' ' PHE . 5.7 tp10 -64.73 -60.24 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.744 -0.465 . . . . 3.0699999999999998 109.744 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.4 -33.33 5.85 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.156 0.503 . . . . 2.5 109.788 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -42.41 91.63 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.888 -0.596 . . . . 2.1200000000000001 109.793 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.638 ' CE3' ' NE2' ' A' ' 59' ' ' HIS . 20.2 t90 -47.84 -47.65 31.34 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.001 -0.74 . . . . 2.8799999999999999 109.001 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' N ' ' CE3' ' A' ' 22' ' ' TRP . 27.2 mt -49.88 -56.25 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 N-CA-C 109.081 -0.711 . . . . 2.46 109.081 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -48.03 -46.83 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.294 -0.866 . . . . 3.8999999999999999 111.186 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.33 -51.46 69.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 3.4500000000000002 111.232 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.22 -41.42 99.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 3.25 110.034 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -46.09 66.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.876 0.37 . . . . 3.9900000000000002 110.167 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -56.35 -45.6 80.36 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.284 -0.416 . . . . 3.6299999999999999 110.329 179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -44.86 88.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.064 -0.516 . . . . 3.6499999999999999 110.474 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.8 t -54.33 -42.4 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.8599999999999999 110.078 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -39.1 71.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.7 -0.682 . . . . 3.1200000000000001 110.314 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -66.28 -57.34 7.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.708 -0.678 . . . . 3.25 110.061 179.238 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 32' ' ' SER . 11.6 mm-40 135.95 -49.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 O-C-N 124.618 1.199 . . . . 4.3700000000000001 110.151 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.894 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -166.1 156.41 12.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 4.9000000000000004 111.107 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -56.02 110.77 0.79 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.957 -0.565 . . . . 9.8000000000000007 110.501 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.48 54.52 31.99 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.616 -0.802 . . . . 5.1699999999999999 112.239 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.894 ' HB2' ' OD1' ' A' ' 34' ' ' ASP . 5.0 tmm_? -58.51 133.67 56.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.91 0.386 . . . . 7.8799999999999999 111.086 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 1.2 t70 -115.59 -6.78 12.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.615 -0.72 . . . . 5.96 110.011 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 0.5 OUTLIER 88.51 42.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.523 -0.762 . . . . 5.7300000000000004 111.334 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' CG2' ' A' ' 40' ' ' THR . 1.4 t -133.27 113.16 12.31 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.861 -0.609 . . . . 4.3499999999999996 109.412 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.56 -60.76 7.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.021 -0.609 . . . . 4.2800000000000002 114.222 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -54.2 -61.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 113.673 0.99 . . . . 4.8200000000000003 113.673 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.426 ' HB3' ' CG2' ' A' ' 40' ' ' THR . 0.4 OUTLIER -58.87 -43.34 90.84 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.943 -0.303 . . . . 4.7400000000000002 111.568 -178.712 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 40' ' ' THR . 12.3 m120 -65.1 -35.62 81.7 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.815 -0.354 . . . . 4.1299999999999999 110.584 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.51 -53.0 58.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.641 -0.504 . . . . 4.5999999999999996 109.641 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -52.04 -40.52 61.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.014 -0.539 . . . . 6.1799999999999997 110.603 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.99 -45.34 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 4.71 110.63 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -36.75 84.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 4.54 110.326 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.2 -53.49 52.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 4.0 110.59 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -41.71 77.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.288 -0.415 . . . . 3.6099999999999999 110.966 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.63 -46.92 77.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 4.8099999999999996 110.137 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.33 -46.18 83.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 3.3700000000000001 110.681 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.59 -51.42 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.377 -0.374 . . . . 3.1699999999999999 110.976 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.62 95.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 1.79 110.104 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 1.6 tp10 -58.09 -53.63 56.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 2.6000000000000001 111.47 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -61.83 -37.94 86.34 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.926 0.343 . . . . 3.1200000000000001 111.926 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' N ' ' HG ' ' A' ' 56' ' ' LEU . . . -58.93 -47.85 83.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.475 -0.33 . . . . 1.78 111.856 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.6 -35.5 39.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.605 0.594 . . . . 1.8100000000000001 112.605 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.638 ' NE2' ' CE3' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -66.03 -33.62 76.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.935 0.717 . . . . 3.2599999999999998 112.935 -178.264 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.564 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -59.87 -62.98 4.79 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 119.655 -0.818 . . . . 3.0099999999999998 110.16 -179.401 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 27.9 Cg_exo -63.43 -41.96 23.92 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.201 1.934 . . . . 1.97 112.33 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.25 -55.59 30.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.931 -0.577 . . . . 1.72 112.51 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 63' ' ' ILE . 65.8 mt -68.08 -45.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.708 -0.224 . . . . 1.8500000000000001 111.069 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -53.29 -51.98 60.56 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.884 -0.413 . . . . 4.1100000000000003 109.884 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.9 -45.54 19.18 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.664 -0.779 . . . . 1.54 111.485 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.6 t -57.15 -57.97 7.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.018 0.437 . . . . 2.0699999999999998 110.009 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.39 -50.19 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 2.7999999999999998 110.347 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.48 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 2.2400000000000002 110.744 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 m -56.3 -46.03 79.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 1.54 110.144 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.67 -45.81 54.36 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.809 -0.71 . . . . 1.05 111.962 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -43.47 74.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.088 0.471 . . . . 3.6699999999999999 109.86 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -62.15 -49.9 74.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.896 -0.593 . . . . 4.1299999999999999 109.653 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.444 ' CD2' ' CD2' ' A' ' 12' ' ' PHE . 3.8 mp -46.19 -40.54 11.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.758 -0.655 . . . . 2.1000000000000001 110.383 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.467 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . 2.6 m -58.76 -53.3 59.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 2.0899999999999999 110.944 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -34.92 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 2.3399999999999999 111.238 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -73.67 -37.21 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 2.8900000000000001 111.593 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 80' ' ' GLY . 6.1 t30 -84.05 157.58 21.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.149 0.499 . . . . 5.0999999999999996 111.998 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 p -79.81 -66.09 0.92 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.666 -0.697 . . . . 5.3099999999999996 111.163 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.0 pt -123.7 -49.67 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.247 -0.433 . . . . 4.9100000000000001 111.692 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' N ' ' ND2' ' A' ' 77' ' ' ASN . . . -31.22 -32.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 114.512 0.565 . . . . 3.2000000000000002 114.512 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.43 -32.34 7.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.914 0.357 . . . . 4.7199999999999998 111.944 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.41 -49.96 53.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.311 . . . . 3.23 110.625 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.6 -48.46 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 2.9399999999999999 110.034 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.7 mm -54.35 -46.06 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 3.0 110.555 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -48.3 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 3.7999999999999998 110.799 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -59.98 -44.56 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.376 . . . . 3.8799999999999999 110.142 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.478 ' HG2' ' SD ' ' A' ' 16' ' ' MET . 20.6 ttp85 -59.48 -51.7 68.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 5.25 110.82 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.24 -44.33 88.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 2.5299999999999998 110.245 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.12 74.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 1.5600000000000001 110.249 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.48 -47.28 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 3.3700000000000001 109.686 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 3.9 t80 -49.07 -50.88 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.669 -0.696 . . . . 1.71 110.168 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.5 t -53.53 -56.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.8799999999999999 110.458 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.753 ' C ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.85 -49.27 49.74 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.846 -0.427 . . . . 1.71 109.846 179.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.587 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 31.2 m170 -52.08 -58.34 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 3.2000000000000002 110.752 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -54.14 -40.51 67.48 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.473 -0.33 . . . . 3.6600000000000001 110.946 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -56.38 -49.66 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 3.3199999999999998 110.791 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 96' ' ' LYS . 3.9 mm-40 -63.17 -39.51 94.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 3.0299999999999998 110.378 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.8 -45.42 89.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.613 . . . . 2.8900000000000001 110.353 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.34 -52.34 65.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 4.4800000000000004 109.957 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.434 HE22 ' HG3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -53.13 -53.18 54.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 4.0999999999999996 110.369 178.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.92 -48.11 64.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.375 -0.375 . . . . 3.0800000000000001 110.776 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.11 -46.9 78.96 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.242 -0.435 . . . . 2.2400000000000002 110.838 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 2.5600000000000001 110.588 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 2.7599999999999998 110.682 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -49.75 -44.44 48.6 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.799 -0.445 . . . . 5.0999999999999996 109.799 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.59 -37.63 95.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 110.772 -0.931 . . . . 3.27 110.772 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 121.174 0.511 . . . . 4.4100000000000001 109.63 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.58 0.229 . . . . 4.8200000000000003 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.7 -45.62 81.69 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.152 -0.314 . . . . 4.4699999999999998 110.152 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -50.47 -48.01 56.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.86 0.362 . . . . 1.29 110.073 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -48.1 74.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.656 -0.498 . . . . 3.2799999999999998 109.656 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.414 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -57.25 -50.35 73.16 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.009 -0.541 . . . . 5.04 110.095 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.17 -50.48 61.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.961 0.41 . . . . 2.1000000000000001 110.033 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -54.5 -56.33 19.9 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.987 -0.551 . . . . 2.7200000000000002 110.636 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.45 -41.17 76.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.107 -0.497 . . . . 2.46 110.264 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -54.73 -46.37 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 2.4900000000000002 110.068 179.319 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 6.7 mt-10 -57.38 -60.25 3.92 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.642 -0.503 . . . . 3.0699999999999998 109.642 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -45.73 -45.39 14.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.663 -0.495 . . . . 2.5 109.663 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.64 -47.49 40.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 2.1200000000000001 110.81 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 49.0 t90 -45.72 -45.57 14.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.683 -0.235 . . . . 2.8799999999999999 111.505 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.2 -53.79 26.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.88 0.371 . . . . 2.46 110.528 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -55.45 -47.75 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.571 . . . . 3.8999999999999999 111.081 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.91 -37.05 85.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.042 -0.526 . . . . 3.4500000000000002 110.721 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -50.49 67.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 3.25 109.842 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.53 -47.89 19.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.74 -0.467 . . . . 3.9900000000000002 109.74 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.75 -42.2 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.839 -0.618 . . . . 3.6299999999999999 110.286 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.61 -37.44 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.751 -0.659 . . . . 3.6499999999999999 110.934 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -55.41 -40.14 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 2.8599999999999999 110.945 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 p -74.16 -24.71 59.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 3.1200000000000001 111.452 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 11.7 p -77.99 -44.79 25.61 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.448 -0.342 . . . . 3.25 111.329 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.678 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 3.0 mm-40 76.51 13.78 2.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.914 -0.584 . . . . 4.3700000000000001 111.327 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.678 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER 66.85 129.54 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.256 0.55 . . . . 4.9000000000000004 111.592 179.609 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.499 ' O ' ' C ' ' A' ' 36' ' ' GLY . 2.9 p90 -46.03 -40.09 10.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.237 -0.892 . . . . 9.8000000000000007 112.965 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 35' ' ' TYR . . . -19.02 92.57 0.01 OUTLIER Glycine 0 C--N 1.336 0.569 0 O-C-N 123.419 0.449 . . . . 5.1699999999999999 113.826 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.513 ' NE ' ' HB2' ' A' ' 39' ' ' LEU . 0.0 OUTLIER 24.01 54.33 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.256 0.623 . . . . 7.8799999999999999 112.281 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.868 ' OD1' ' ND2' ' A' ' 44' ' ' ASN . 9.0 t0 -32.76 -48.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.681 0.622 . . . . 5.96 112.681 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -31.69 -43.28 0.06 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.233 0.457 . . . . 5.7300000000000004 112.233 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 t -85.41 65.16 9.05 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.877 -0.416 . . . . 4.3499999999999996 109.877 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.93 -47.19 1.84 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 115.963 -0.562 . . . . 4.2800000000000002 114.011 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' CG1' ' H ' ' A' ' 43' ' ' GLN . 5.6 p -55.38 -60.14 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 117.22 0.51 . . . . 4.8200000000000003 111.791 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' H ' ' CG1' ' A' ' 42' ' ' VAL . 1.2 tp-100 -64.73 -23.78 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.422 . . . . 4.7400000000000002 110.299 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.868 ' ND2' ' OD1' ' A' ' 38' ' ' ASP . 43.9 t-20 -68.02 -44.32 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 4.1299999999999999 110.134 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.44 -54.35 44.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 4.5999999999999996 109.862 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -50.89 -42.02 58.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.995 -0.548 . . . . 6.1799999999999997 111.106 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -44.09 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 4.71 110.386 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.22 95.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 4.54 110.389 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.541 ' CE1' HH21 ' A' ' 105' ' ' ARG . 7.3 t-80 -59.2 -55.55 33.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 4.0 110.542 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -37.32 73.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.04 -0.527 . . . . 3.6099999999999999 110.514 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -61.4 -48.32 81.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 4.8099999999999996 110.225 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.49 -53.52 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 3.3700000000000001 110.407 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.91 -48.72 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 3.1699999999999999 111.165 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.49 96.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.063 0.458 . . . . 1.79 110.435 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.44 -55.21 37.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 2.6000000000000001 110.536 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.37 -41.62 63.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.378 -0.374 . . . . 3.1200000000000001 111.373 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -51.2 64.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 1.78 110.976 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -28.36 69.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.8100000000000001 112.036 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 6.0 m-70 -68.81 -47.13 66.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 119.571 -0.252 . . . . 3.2599999999999998 111.013 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -38.87 -61.97 0.83 Allowed Pre-proline 0 N--CA 1.463 0.19 0 C-N-CA 120.904 -0.318 . . . . 3.0099999999999998 110.265 -179.493 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.473 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 74.2 Cg_exo -42.56 -46.97 7.88 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.152 1.901 . . . . 1.97 112.285 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.55 -23.64 42.69 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.243 0.46 . . . . 1.72 112.243 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 59' ' ' HIS . 1.2 mm -72.59 -48.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.648 . . . . 1.8500000000000001 109.252 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.1 -42.74 99.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.795 -0.817 . . . . 4.1100000000000003 108.795 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.52 -49.06 11.78 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.839 -0.619 . . . . 1.54 112.141 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -55.94 -51.8 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.085 0 CA-C-N 117.09 0.445 . . . . 2.0699999999999998 110.101 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.491 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 2.6 tm? -55.52 -51.31 67.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.839 -0.43 . . . . 2.7999999999999998 109.839 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -52.09 27.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.906 -0.588 . . . . 2.2400000000000002 110.465 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.5 m -60.4 -49.15 78.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.588 -0.523 . . . . 1.54 109.588 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.47 -39.27 29.22 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.911 -0.876 . . . . 1.05 110.911 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.58 -44.28 96.71 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.448 -0.575 . . . . 3.6699999999999999 109.448 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -59.14 -38.12 78.9 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.943 -0.762 . . . . 4.1299999999999999 108.943 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.8 -42.9 97.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.625 -1.17 . . . . 2.1000000000000001 109.965 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 t -64.45 -38.8 92.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.48 -0.782 . . . . 2.0899999999999999 112.083 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -39.22 -60.83 0.85 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.564 0.209 . . . . 2.3399999999999999 111.564 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -37.18 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 2.8900000000000001 110.639 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.567 ' N ' HD21 ' A' ' 77' ' ' ASN . 0.9 OUTLIER -77.24 68.27 3.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.122 0.487 . . . . 5.0999999999999996 110.218 179.425 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -58.1 -73.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 5.3099999999999996 111.031 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 pt -94.83 118.74 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 4.9100000000000001 111.171 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.14 -32.87 3.17 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.131 -0.557 . . . . 3.2000000000000002 111.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -53.68 -21.29 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.062 0.393 . . . . 4.7199999999999998 112.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.92 -44.94 1.76 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.687 0.28 . . . . 3.23 111.259 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.64 -52.83 63.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.359 -0.382 . . . . 2.9399999999999999 110.385 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.2 mt -56.79 -45.51 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 3.0 110.18 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.66 74.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 3.7999999999999998 110.146 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' A' ' 86' ' ' GLN . 0.7 OUTLIER -58.05 -49.67 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 3.8799999999999999 110.064 178.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -57.31 -51.27 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 5.25 111.052 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -39.52 90.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 2.5299999999999998 110.562 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -32.71 73.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 1.5600000000000001 110.441 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -49.79 66.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.715 -0.675 . . . . 3.3700000000000001 109.837 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 34.7 t80 -56.63 -49.76 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.787 -0.642 . . . . 1.71 109.779 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.19 -51.14 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.8799999999999999 110.344 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.93 -53.62 46.75 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.681 -0.489 . . . . 1.71 109.681 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -49.08 -55.67 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 3.2000000000000002 110.286 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -53.23 -48.28 68.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.68 -0.691 . . . . 3.6600000000000001 110.447 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.525 -0.762 . . . . 3.3199999999999998 110.808 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 96' ' ' LYS . 1.5 tt0 -58.18 -49.61 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 3.0299999999999998 110.707 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.76 -46.72 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 2.8900000000000001 110.471 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -59.42 -47.1 86.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 4.4800000000000004 110.117 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -55.19 -52.68 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.957 -0.565 . . . . 4.0999999999999996 110.503 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.44 -48.16 74.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.367 -0.379 . . . . 3.0800000000000001 110.5 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.16 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.458 . . . . 2.2400000000000002 111.243 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.05 94.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 2.5600000000000001 110.959 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.89 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 2.7599999999999998 110.5 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.541 HH21 ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -56.9 -50.65 71.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 5.0999999999999996 110.551 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.22 91.8 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.831 -0.7 . . . . 3.27 112.633 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 4.4100000000000001 110.686 -179.805 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.418 ' CD2' ' H ' ' A' ' 11' ' ' GLN . 4.4 p-80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.506 0.193 . . . . 4.8200000000000003 111.409 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 3.7 pt20 -61.31 -34.88 75.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.732 -0.387 . . . . 4.4699999999999998 110.041 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -51.5 -50.63 59.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.408 -0.36 . . . . 1.29 110.2 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.772 -0.371 . . . . 3.2799999999999998 110.369 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -52.72 64.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.305 -0.407 . . . . 5.04 110.52 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 1.005 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 2.3 m-20 -55.43 -45.58 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 2.1000000000000001 109.999 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.418 ' SD ' ' NH2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.02 -52.88 59.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 2.7200000000000002 110.026 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -52.06 -55.02 23.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.083 -0.508 . . . . 2.46 110.482 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.005 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 4.3 p30 -53.06 -41.93 65.31 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.167 0.508 . . . . 2.4900000000000002 109.753 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.614 ' HG3' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tp10 -60.98 -60.94 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 3.0699999999999998 110.05 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.971 ' OE2' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.54 -35.84 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.371 -0.603 . . . . 2.5 109.371 177.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 24.5 m -63.64 -37.45 87.39 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.953 -0.567 . . . . 2.1200000000000001 109.656 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.921 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -44.71 -44.82 9.44 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.1 -0.333 . . . . 2.8799999999999999 110.1 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.736 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -57.18 -51.28 71.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.325 -0.398 . . . . 2.46 110.485 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -53.56 -46.79 70.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.415 -0.357 . . . . 3.8999999999999999 111.002 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.94 -45.91 91.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 3.4500000000000002 110.625 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -61.79 -48.71 79.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 3.25 110.95 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -60.01 -38.44 82.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.477 -0.329 . . . . 3.9900000000000002 110.664 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.26 -40.64 86.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.888 0.375 . . . . 3.6299999999999999 110.139 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -48.98 77.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.876 -0.602 . . . . 3.6499999999999999 110.749 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 t -58.16 -37.89 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 2.8599999999999999 111.04 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -80.28 -22.24 41.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.548 . . . . 3.1200000000000001 111.662 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -76.85 -51.44 11.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 3.25 111.085 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' CD ' HH12 ' A' ' 105' ' ' ARG . 0.3 OUTLIER 56.25 30.61 16.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.988 -0.551 . . . . 4.3700000000000001 110.415 -179.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 36' ' ' GLY . 2.8 p-10 -41.62 139.34 1.17 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.928 -0.578 . . . . 4.9000000000000004 111.874 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.9 t80 72.71 -12.29 0.77 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.813 -0.63 . . . . 9.8000000000000007 111.712 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 34' ' ' ASP . . . -57.87 120.61 22.43 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.985 -0.626 . . . . 5.1699999999999999 112.53 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.05 135.18 6.12 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 110.549 -0.167 . . . . 7.8799999999999999 110.549 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -34.97 -56.21 0.57 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.79 0.663 . . . . 5.96 112.79 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -43.64 -23.66 0.08 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.952 0.723 . . . . 5.7300000000000004 112.952 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -153.07 29.31 0.5 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.718 0.294 . . . . 4.3499999999999996 111.043 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.19 -49.14 60.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.964 -0.636 . . . . 4.2800000000000002 113.008 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -59.77 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.681 0.277 . . . . 4.8200000000000003 111.672 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -58.46 -31.71 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 4.7400000000000002 110.678 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -65.92 -48.57 70.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 4.1299999999999999 110.12 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.2 -49.89 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 4.5999999999999996 109.902 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.87 62.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.15 -0.477 . . . . 6.1799999999999997 110.495 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -61.75 -46.17 90.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.297 -0.41 . . . . 4.71 110.179 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.81 -49.15 74.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.535 . . . . 4.54 110.021 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -50.01 -54.16 21.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.935 -0.575 . . . . 4.0 110.483 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -44.24 62.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 3.6099999999999999 110.408 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HE ' ' CD ' ' A' ' 55' ' ' GLU . 4.0 tpt180 -59.16 -41.55 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.082 -0.508 . . . . 4.8099999999999996 110.213 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.5 mt -64.04 -50.45 68.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 3.3700000000000001 109.927 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -49.87 -44.49 49.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.1699999999999999 110.497 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.61 56.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.219 -0.446 . . . . 1.79 110.475 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' CD ' ' HE ' ' A' ' 51' ' ' ARG . 31.9 mt-10 -54.94 -47.43 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 2.6000000000000001 110.515 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -53.66 -44.85 69.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.875 -0.602 . . . . 3.1200000000000001 111.141 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 1.78 111.297 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.09 40.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 1.8100000000000001 111.163 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.921 ' CE1' ' CD2' ' A' ' 22' ' ' TRP . 36.6 t60 -75.69 -21.12 57.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.031 -0.532 . . . . 3.2599999999999998 111.159 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.518 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -66.8 -61.76 4.61 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.478 -0.564 . . . . 3.0099999999999998 109.478 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 54.0 Cg_exo -52.69 -41.81 66.75 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.336 2.024 . . . . 1.97 111.459 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.73 66.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.669 -0.696 . . . . 1.72 111.408 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.74 HD13 ' CE1' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -55.84 -52.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 1.8500000000000001 110.115 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -54.51 -51.79 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 4.1100000000000003 110.337 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.63 28.89 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.769 -0.729 . . . . 1.54 111.926 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.5 t -57.22 -54.81 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 CA-C-O 120.985 0.421 . . . . 2.0699999999999998 110.313 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.81 -50.2 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 2.7999999999999998 110.884 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.13 -48.61 75.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.622 -0.263 . . . . 2.2400000000000002 110.882 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 m -58.94 -50.92 72.23 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.172 -0.307 . . . . 1.54 110.172 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.01 69.22 Favored Glycine 0 C--N 1.336 0.58 0 C-N-CA 120.213 -0.994 . . . . 1.05 110.9 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -34.17 76.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.085 0.469 . . . . 3.6699999999999999 109.92 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -51.82 68.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.998 -0.547 . . . . 4.1299999999999999 110.342 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -36.88 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 2.1000000000000001 110.422 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.466 ' HA ' ' HG3' ' A' ' 81' ' ' LYS . 19.7 m -63.18 -46.48 86.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.783 -0.644 . . . . 2.0899999999999999 111.361 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -60.49 -34.52 74.17 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.617 -0.433 . . . . 2.3399999999999999 109.846 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -71.74 -32.74 68.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 2.8900000000000001 109.925 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 79.01 37.86 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.458 -0.792 . . . . 5.0999999999999996 110.639 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 p -74.49 143.18 44.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 5.3099999999999996 110.825 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.38 113.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . 4.9100000000000001 110.669 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.84 -21.34 5.6 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.167 -0.539 . . . . 3.2000000000000002 111.811 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' HG3' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.26 -45.38 34.37 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 111.493 0.182 . . . . 4.7199999999999998 111.493 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -55.0 -56.48 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 3.23 110.917 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.95 -46.02 74.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 2.9399999999999999 110.229 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.6 -48.85 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 3.0 110.947 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.62 -43.75 76.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 3.7999999999999998 110.515 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -49.55 76.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.994 0.426 . . . . 3.8799999999999999 109.917 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH2' ' SD ' ' A' ' 16' ' ' MET . 8.7 mtp180 -58.28 -50.45 73.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.907 -0.588 . . . . 5.25 110.472 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -43.41 74.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.05 -0.523 . . . . 2.5299999999999998 110.509 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.48 77.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 1.5600000000000001 110.439 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -47.86 83.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 3.3700000000000001 109.852 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.971 ' CD1' ' OE2' ' A' ' 20' ' ' GLU . 81.4 t80 -52.94 -50.57 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 1.71 110.393 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.3 t -55.24 -52.77 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.48 -0.327 . . . . 1.8799999999999999 110.345 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.887 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -49.56 -52.96 26.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.278 -0.419 . . . . 1.71 110.113 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.887 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 12.2 m-70 -54.5 -56.98 13.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.791 -0.448 . . . . 3.2000000000000002 109.791 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.482 ' NE1' ' HD2' ' A' ' 59' ' ' HIS . 6.9 t90 -44.66 -43.65 8.46 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 3.6600000000000001 111.496 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -53.3 -53.52 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 3.3199999999999998 110.786 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.534 ' HG2' ' N ' ' A' ' 98' ' ' LEU . 1.9 pt-20 -56.67 -43.6 80.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.459 -0.337 . . . . 3.0299999999999998 111.102 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.534 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -62.41 -45.86 91.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 2.8900000000000001 110.856 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' NZ ' ' CH2' ' A' ' 95' ' ' TRP . 2.0 tttp -59.0 -45.2 91.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.634 -0.506 . . . . 4.4800000000000004 109.634 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.4 -55.25 37.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.142 -0.481 . . . . 4.0999999999999996 109.841 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -47.61 -49.24 27.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.211 -0.449 . . . . 3.0800000000000001 110.498 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -52.18 39.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.963 0.411 . . . . 2.2400000000000002 110.548 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.69 68.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.059 -0.519 . . . . 2.5600000000000001 110.5 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.89 65.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.965 -0.561 . . . . 2.7599999999999998 110.445 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.493 HH12 ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -52.48 -50.59 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 5.0999999999999996 110.166 179.348 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.21 -41.51 70.5 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 3.27 112.192 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 4.4100000000000001 110.579 179.524 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.457 0.17 . . . . 4.8200000000000003 110.694 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -42.98 95.04 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.701 -0.481 . . . . 4.4699999999999998 109.701 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -49.42 -53.73 21.23 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.508 -0.552 . . . . 1.29 109.508 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -52.58 -45.11 66.32 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.72 -0.474 . . . . 3.2799999999999998 109.72 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 1.023 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.28 -53.49 55.45 Favored 'General case' 0 C--N 1.334 -0.08 0 N-CA-C 109.739 -0.467 . . . . 5.04 109.739 178.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.836 ' HA ' ' CG ' ' A' ' 18' ' ' ASP . 3.1 m-20 -52.81 -48.38 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.538 -0.541 . . . . 2.1000000000000001 109.538 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.6 mtp -51.32 -56.6 12.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.075 -0.511 . . . . 2.7200000000000002 110.217 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -53.86 -46.91 71.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.134 -0.485 . . . . 2.46 110.002 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.023 ' OD2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -50.86 -48.11 60.24 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.544 -0.539 . . . . 2.4900000000000002 109.544 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 3.9 tp10 -60.82 -57.97 10.43 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.02 -0.733 . . . . 3.0699999999999998 109.02 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.51 -38.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.58 -0.737 . . . . 2.5 109.999 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -44.95 95.8 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.022 -0.536 . . . . 2.1200000000000001 110.106 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.608 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 18.2 t90 -48.97 -45.38 42.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.171 -0.468 . . . . 2.8799999999999999 109.883 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.5 mt -46.58 -60.02 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.98 0.419 . . . . 2.46 110.089 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -42.11 63.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 3.8999999999999999 110.951 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.62 -49.54 77.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 3.4500000000000002 111.072 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.92 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.36 . . . . 3.25 110.194 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -53.75 -41.64 67.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.92 -0.4 . . . . 3.9900000000000002 109.92 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -38.26 85.35 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.107 -0.497 . . . . 3.6299999999999999 109.945 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.08 -45.67 86.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.011 -0.541 . . . . 3.6499999999999999 110.083 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -51.46 -50.79 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 2.8599999999999999 109.881 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -37.59 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 3.1200000000000001 110.291 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.8 m -61.65 -49.92 74.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.862 -0.608 . . . . 3.25 110.611 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.8 -44.32 81.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.421 . . . . 4.3700000000000001 110.587 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.937 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.39 -58.22 8.28 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.102 -0.499 . . . . 4.9000000000000004 110.781 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.937 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 59.8 m-85 -60.13 -40.42 89.69 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.396 -0.366 . . . . 9.8000000000000007 110.976 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.84 126.84 37.81 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.971 -0.558 . . . . 5.1699999999999999 112.67 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -131.71 77.6 1.78 Allowed 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.138 0.494 . . . . 7.8799999999999999 110.635 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -60.26 -26.48 66.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.714 -0.675 . . . . 5.96 109.326 178.577 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER 87.68 30.57 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.275 -0.875 . . . . 5.7300000000000004 109.934 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.413 ' O ' HG21 ' A' ' 40' ' ' THR . 4.6 t -147.51 102.33 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.249 -0.887 . . . . 4.3499999999999996 110.464 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.24 -51.64 52.81 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.523 -0.846 . . . . 4.2800000000000002 112.477 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 m -54.65 -57.04 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.574 0.583 . . . . 4.8200000000000003 112.574 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -61.38 -44.03 97.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.69 0.281 . . . . 4.7400000000000002 110.524 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.402 ' HA ' ' HZ1' ' A' ' 47' ' ' LYS . 11.0 t-20 -59.63 -39.12 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 4.1299999999999999 110.305 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -64.33 -55.91 18.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.068 -0.515 . . . . 4.5999999999999996 109.644 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -52.44 -31.86 36.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.773 -0.649 . . . . 6.1799999999999997 109.967 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HZ1' ' HA ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -63.52 -53.99 43.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 4.71 110.244 179.456 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -59.16 -38.54 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 4.54 109.801 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -55.52 33.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 4.0 110.477 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.9 70.02 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.336 -0.393 . . . . 3.6099999999999999 110.614 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' NH2' ' OE2' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -60.31 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 4.8099999999999996 109.989 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.03 -43.69 98.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 3.3700000000000001 110.234 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.46 79.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.082 -0.508 . . . . 3.1699999999999999 110.475 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.46 95.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.082 0.468 . . . . 1.79 109.786 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.723 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -55.12 -54.98 36.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 2.6000000000000001 110.652 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.26 -41.36 96.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.981 -0.554 . . . . 3.1200000000000001 112.234 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.18 -52.36 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.929 0.395 . . . . 1.78 111.426 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -30.85 37.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.526 . . . . 1.8100000000000001 112.076 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.608 ' CE1' ' CD2' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -68.07 -25.86 65.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 112.842 0.682 . . . . 3.2599999999999998 112.842 -178.494 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.575 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -63.03 -62.97 4.68 Favored Pre-proline 0 C--N 1.322 -0.621 0 C-N-CA 118.94 -1.104 . . . . 3.0099999999999998 108.993 179.302 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.575 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.2 Cg_exo -63.08 -36.54 58.2 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.114 1.876 . . . . 1.97 112.64 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -54.2 8.51 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.641 0.608 . . . . 1.72 112.641 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 59' ' ' HIS . 3.1 mm -63.7 -46.96 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.386 -0.37 . . . . 1.8500000000000001 110.847 -179.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -49.18 78.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.737 -0.468 . . . . 4.1100000000000003 109.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.64 -52.85 14.22 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.085 -0.578 . . . . 1.54 112.599 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 117.205 0.503 . . . . 2.0699999999999998 110.295 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.47 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -53.84 -50.75 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 2.7999999999999998 111.129 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.94 -47.53 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 2.2400000000000002 110.84 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.6 m -59.18 -51.65 69.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.423 -0.353 . . . . 1.54 110.091 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.82 82.85 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.473 -0.87 . . . . 1.05 111.637 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -46.64 65.33 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.979 -0.378 . . . . 3.6699999999999999 109.979 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -55.61 -58.22 8.7 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.038 -0.528 . . . . 4.1299999999999999 110.167 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.3 mp -45.04 -38.5 4.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 2.1000000000000001 111.008 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -32.53 72.95 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.345 0.868 . . . . 2.0899999999999999 113.345 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -51.42 -24.03 4.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.357 0.502 . . . . 2.3399999999999999 112.357 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 145.57 -37.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.889 0.476 . . . . 2.8900000000000001 110.868 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -56.74 152.0 13.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.576 . . . . 5.0999999999999996 111.345 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m 64.26 108.83 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.771 -0.649 . . . . 5.3099999999999996 111.561 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.41 146.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.143 -0.48 . . . . 4.9100000000000001 110.479 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.556 ' O ' ' OE1' ' A' ' 83' ' ' GLU . . . 91.64 -2.01 76.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 3.2000000000000002 111.886 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -42.26 -45.21 4.09 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 122.1 0.16 . . . . 4.7199999999999998 111.374 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -52.4 -57.58 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 3.23 110.941 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -53.38 -47.0 69.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.065 0.459 . . . . 2.9399999999999999 109.823 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.08 -46.3 84.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 3.0 110.175 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.78 -44.44 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.755 -0.657 . . . . 3.7999999999999998 110.436 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.57 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 3.8799999999999999 109.849 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -47.5 76.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.867 -0.606 . . . . 5.25 110.634 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.8 tp -57.91 -46.35 85.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 2.5299999999999998 110.151 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.23 70.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.914 -0.585 . . . . 1.5600000000000001 110.213 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.47 -47.24 73.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.572 -0.74 . . . . 3.3700000000000001 109.903 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 7.6 t80 -54.22 -47.92 71.63 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.148 -0.478 . . . . 1.71 109.748 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.0 t -53.62 -53.03 28.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.27 -0.423 . . . . 1.8799999999999999 109.928 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -50.54 58.64 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.536 -0.542 . . . . 1.71 109.536 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -51.43 -58.4 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.798 -0.637 . . . . 3.2000000000000002 110.085 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.46 ' NE1' ' HD2' ' A' ' 59' ' ' HIS . 10.7 t90 -52.32 -43.85 64.76 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.184 -0.462 . . . . 3.6600000000000001 110.834 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -51.84 59.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 3.3199999999999998 110.461 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.84 -47.51 82.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 3.0299999999999998 110.442 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.3 mt -56.87 -45.07 82.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 2.8900000000000001 111.027 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -57.28 -49.63 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 4.4800000000000004 110.073 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -59.72 -50.49 73.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.897 0.379 . . . . 4.0999999999999996 110.12 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.5 tp -51.87 -46.07 64.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 3.0800000000000001 110.527 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.54 -52.22 60.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 2.2400000000000002 110.794 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.79 65.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.137 -0.483 . . . . 2.5600000000000001 110.876 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.83 87.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 2.7599999999999998 110.832 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.89 -42.11 75.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 5.0999999999999996 110.326 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.39 98.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.004 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.785 0.326 . . . . 4.4100000000000001 110.316 179.643 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.491 ' ND1' ' N ' ' A' ' 11' ' ' GLN . 20.6 p80 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 111.809 0.3 . . . . 4.8200000000000003 111.809 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 1.2 mm100 -64.27 -37.48 87.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 4.4699999999999998 110.496 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -57.17 -44.83 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.034 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -51.97 67.02 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.837 -0.431 . . . . 3.2799999999999998 109.837 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' NH1' ' HA ' ' A' ' 15' ' ' ASP . 5.2 tmm_? -55.71 -49.07 74.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.04 -0.527 . . . . 5.04 109.714 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.458 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 2.2 m-20 -50.35 -54.13 23.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 2.1000000000000001 110.578 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.1 ttp -54.13 -52.36 61.32 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.869 0.366 . . . . 2.7200000000000002 110.451 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -54.49 -44.95 73.11 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.582 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.48 -46.66 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.532 -0.304 . . . . 2.4900000000000002 110.871 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' OE2' ' CZ ' ' A' ' 91' ' ' PHE . 2.6 tm-20 -66.42 -57.8 6.64 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.174 -0.676 . . . . 3.0699999999999998 109.174 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 1.31 ' OE1' ' HB2' ' A' ' 91' ' ' PHE . 1.1 tp10 -47.56 -36.2 10.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.955 -0.566 . . . . 2.5 109.808 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.448 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -65.71 -46.5 78.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.811 -0.631 . . . . 2.1200000000000001 109.832 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CD1' ' OE2' ' A' ' 25' ' ' GLU . 19.3 t90 -52.72 -42.2 64.65 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.174 -0.467 . . . . 2.8799999999999999 109.783 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mt -49.32 -56.61 2.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.021 0.438 . . . . 2.46 110.362 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 12.3 mtmm -50.21 -52.14 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 3.8999999999999999 111.186 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.804 ' OE2' ' CD1' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -54.83 -46.35 74.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.373 . . . . 3.4500000000000002 111.353 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.657 ' N ' ' HG2' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -63.28 -47.92 80.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.879 -0.328 . . . . 3.25 110.684 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -41.34 43.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.078 0.466 . . . . 3.9900000000000002 109.934 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.68 -38.26 83.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 3.6299999999999999 110.12 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -44.53 96.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.646 -0.706 . . . . 3.6499999999999999 110.995 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -60.14 -45.21 96.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 2.8599999999999999 110.754 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.806 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 17.4 m -53.03 -34.46 56.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.12 -0.491 . . . . 3.1200000000000001 110.635 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 m -80.29 -49.12 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 3.25 110.679 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.82 ' HA ' ' OE1' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -48.86 -47.18 43.03 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.138 -0.483 . . . . 4.3700000000000001 110.736 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.806 ' OD1' ' O ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -64.26 114.85 4.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 4.9000000000000004 110.879 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CD2' ' OD2' ' A' ' 34' ' ' ASP . 3.1 m-85 57.67 41.98 24.53 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.719 -0.673 . . . . 9.8000000000000007 110.709 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.28 -135.8 0.97 Allowed Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.996 -0.547 . . . . 5.1699999999999999 113.054 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.06 -74.49 0.05 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.999 0.428 . . . . 7.8799999999999999 110.673 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.79 19.24 0.05 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.719 -0.673 . . . . 5.96 112.331 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 52.78 17.91 0.94 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.036 0.446 . . . . 5.7300000000000004 110.811 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 24.8 m -168.05 54.26 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 108.705 -0.85 . . . . 4.3499999999999996 108.705 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.81 -62.2 4.7 Favored Glycine 0 C--O 1.226 -0.378 0 N-CA-C 115.14 0.816 . . . . 4.2800000000000002 115.14 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' A' ' 43' ' ' GLN . 7.5 p -53.05 -61.03 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 114.052 1.13 . . . . 4.8200000000000003 114.052 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.404 ' H ' ' CG1' ' A' ' 42' ' ' VAL . 30.4 mm-40 -63.79 -37.6 87.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.738 0.273 . . . . 4.7400000000000002 111.738 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 40' ' ' THR . 20.9 t-20 -69.63 -32.78 71.68 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.047 -0.353 . . . . 4.1299999999999999 110.047 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -64.7 -57.4 9.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.393 -0.367 . . . . 4.5999999999999996 110.289 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -39.2 76.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.915 -0.314 . . . . 6.1799999999999997 111.215 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -64.57 -47.93 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 4.71 110.089 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -62.01 -40.82 96.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 4.54 110.081 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.91 71.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 4.0 110.236 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -52.15 -41.58 62.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.824 0.345 . . . . 3.6099999999999999 110.344 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.424 HH11 ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.25 -42.64 88.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 4.8099999999999996 109.876 179.053 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.34 -49.65 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 3.3700000000000001 110.447 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.75 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 3.1699999999999999 110.489 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.36 92.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 1.79 110.156 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.19 -56.33 22.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.597 -0.729 . . . . 2.6000000000000001 110.602 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.02 -40.34 66.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 3.1200000000000001 111.616 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.05 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 1.78 111.19 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.39 -29.79 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.63 0.604 . . . . 1.8100000000000001 112.63 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 32.3 m-70 -68.33 -49.29 61.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.828 -0.349 . . . . 3.2599999999999998 110.895 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 3.4 tp10 -38.81 -60.93 1.0 Allowed Pre-proline 0 N--CA 1.463 0.225 0 O-C-N 123.243 0.339 . . . . 3.0099999999999998 110.685 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 71.5 Cg_exo -38.81 -47.75 2.74 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.839 1.693 . . . . 1.97 111.86 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.47 -28.59 37.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.942 -0.572 . . . . 1.72 112.151 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.512 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 1.3 mm -65.33 -45.6 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.175 -0.676 . . . . 1.8500000000000001 109.175 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -73.8 -41.13 62.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.244 -1.021 . . . . 4.1100000000000003 108.244 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.83 -41.17 35.54 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.32 -0.855 . . . . 1.54 111.505 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.18 -57.85 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 109.488 -0.56 . . . . 2.0699999999999998 109.488 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.97 -49.12 60.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 2.7999999999999998 110.19 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.03 -51.55 63.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 2.2400000000000002 110.716 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 m -56.48 -50.61 71.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.609 -0.515 . . . . 1.54 109.609 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.0 46.64 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 120.415 -0.897 . . . . 1.05 111.213 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -39.14 80.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.638 -0.504 . . . . 3.6699999999999999 109.638 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -48.93 79.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.565 . . . . 4.1299999999999999 109.759 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mp -52.31 -43.39 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 2.1000000000000001 109.779 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.6 t -54.65 -49.35 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 2.0899999999999999 112.482 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -40.19 96.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.663 0.616 . . . . 2.3399999999999999 112.663 -177.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.15 -27.98 38.95 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.651 -0.42 . . . . 2.8900000000000001 111.954 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.5 152.98 12.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.894 0.378 . . . . 5.0999999999999996 111.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -127.95 34.79 4.55 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.221 -0.445 . . . . 5.3099999999999996 111.195 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.9 mt -92.01 59.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.037 0.446 . . . . 4.9100000000000001 110.312 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.565 ' HA2' ' OE2' ' A' ' 83' ' ' GLU . . . 135.61 -8.24 4.28 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.867 -0.606 . . . . 3.2000000000000002 112.043 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.01 -59.31 3.2 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.681 0.277 . . . . 4.7199999999999998 110.96 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -40.14 -59.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 3.23 111.345 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.565 ' OE2' ' HA2' ' A' ' 80' ' ' GLY . 0.3 OUTLIER -54.48 -47.4 73.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.027 0.442 . . . . 2.9399999999999999 110.443 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.1 mm -55.92 -44.82 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 3.0 110.502 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -49.67 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 3.7999999999999998 110.733 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -55.1 -51.16 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.254 -0.43 . . . . 3.8799999999999999 110.362 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.09 78.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 5.25 110.627 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.4 tp -55.75 -37.9 69.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 2.5299999999999998 110.626 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 1.5600000000000001 110.604 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.39 -45.64 75.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 3.3700000000000001 109.855 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 1.31 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 27.9 t80 -55.72 -50.35 70.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.686 -0.688 . . . . 1.71 110.376 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.84 -50.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 1.8799999999999999 110.212 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.13 -50.0 62.59 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.409 -0.36 . . . . 1.71 110.209 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -52.48 -55.33 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 3.2000000000000002 109.884 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -51.12 -48.71 61.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.809 -0.632 . . . . 3.6600000000000001 110.038 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -52.96 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.429 -0.805 . . . . 3.3199999999999998 111.189 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.6 -42.99 84.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.801 0.334 . . . . 3.0299999999999998 110.388 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -59.23 -48.7 80.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 2.8900000000000001 110.278 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -57.49 -48.93 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.635 . . . . 4.4800000000000004 110.228 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 4.0999999999999996 110.326 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.33 -46.98 73.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.266 -0.425 . . . . 3.0800000000000001 109.985 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.05 -51.09 59.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 2.2400000000000002 110.491 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.29 -50.98 61.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.027 -0.533 . . . . 2.5600000000000001 110.621 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.87 79.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.968 -0.56 . . . . 2.7599999999999998 110.236 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -41.04 82.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 5.0999999999999996 110.218 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.22 -39.22 63.64 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.9 -0.667 . . . . 3.27 111.927 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 120.945 0.402 . . . . 4.4100000000000001 109.999 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.5 t60 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.562 0.22 . . . . 4.8200000000000003 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.87 -46.86 84.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.32 0.581 . . . . 4.4699999999999998 109.604 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -48.51 -42.98 34.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.666 -0.697 . . . . 1.29 110.612 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.82 -50.51 66.0 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.934 -0.395 . . . . 3.2799999999999998 109.934 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -47.68 85.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.53 -0.545 . . . . 5.04 109.53 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.63 -49.24 38.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 2.1000000000000001 110.769 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.545 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 13.3 mtm -59.16 -52.28 66.37 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.091 0.472 . . . . 2.7200000000000002 110.178 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -54.23 -43.79 71.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.038 -0.356 . . . . 2.46 110.038 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -46.44 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 2.4900000000000002 110.959 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 16' ' ' MET . 16.9 pt-20 -65.09 -53.39 46.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.625 -0.509 . . . . 3.0699999999999998 109.625 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -47.96 -43.43 29.35 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.447 -0.575 . . . . 2.5 109.447 177.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.451 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 2.3 t -59.64 -50.41 73.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.18 -0.464 . . . . 2.1200000000000001 109.892 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 31.0 t90 -50.35 -45.82 55.3 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 110.065 -0.346 . . . . 2.8799999999999999 110.065 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -49.31 -58.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 120.806 0.336 . . . . 2.46 110.184 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 21' ' ' SER . 8.0 mtmp? -49.15 -49.91 40.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 3.8999999999999999 110.975 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.63 -47.91 75.83 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.968 -0.56 . . . . 3.4500000000000002 111.33 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.86 -45.16 90.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.998 -0.371 . . . . 3.25 109.998 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -48.83 -42.3 35.75 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.664 -0.495 . . . . 3.9900000000000002 109.664 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.12 -43.8 82.67 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.01 -0.541 . . . . 3.6299999999999999 110.012 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.9 mt -55.31 -43.52 74.92 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.026 -0.534 . . . . 3.6499999999999999 110.304 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 t -53.96 -39.08 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.971 0.415 . . . . 2.8599999999999999 110.009 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -27.49 65.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.603 -0.726 . . . . 3.1200000000000001 110.918 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.7 ' OG ' ' OE2' ' A' ' 33' ' ' GLU . 4.5 p -80.86 -35.27 32.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 3.25 110.982 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.7 ' OE2' ' OG ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -77.13 29.44 0.14 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.899 -0.592 . . . . 4.3700000000000001 111.938 -179.171 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.992 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -83.04 84.52 7.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 4.9000000000000004 110.392 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' GLY . 39.5 p90 -176.52 -15.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.013 -0.54 . . . . 9.8000000000000007 110.801 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' TYR . . . 23.16 -95.52 0.01 OUTLIER Glycine 0 C--N 1.339 0.727 0 O-C-N 123.677 0.611 . . . . 5.1699999999999999 114.447 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.615 ' CD ' ' H ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -29.2 -39.65 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.249 0.62 . . . . 7.8799999999999999 112.649 -179.383 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 36' ' ' GLY . 5.5 t70 44.19 28.18 0.26 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.194 0.442 . . . . 5.96 112.194 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.615 ' H ' ' CD ' ' A' ' 37' ' ' ARG . 2.3 tp 49.18 23.44 0.78 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.334 -0.393 . . . . 5.7300000000000004 111.943 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 t -171.12 86.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.932 0.396 . . . . 4.3499999999999996 110.085 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.7 -60.25 8.17 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.028 -0.605 . . . . 4.2800000000000002 113.673 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 t -46.66 -60.6 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.569 0.581 . . . . 4.8200000000000003 112.569 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -63.61 -35.45 80.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.299 . . . . 4.7400000000000002 110.849 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -64.96 -32.49 74.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 4.1299999999999999 110.306 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 49' ' ' HIS . 9.7 tp -65.22 -60.57 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 4.5999999999999996 110.111 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 6.1799999999999997 110.075 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -50.5 67.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.711 -0.677 . . . . 4.71 110.368 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -59.4 -43.96 92.89 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.467 -0.568 . . . . 4.54 109.467 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.433 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 2.2 m-70 -51.01 -53.96 28.76 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.8 -0.636 . . . . 4.0 110.827 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -49.06 -46.36 44.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.879 0.371 . . . . 3.6099999999999999 110.827 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -67.91 -34.31 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 4.8099999999999996 110.435 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.0 -42.45 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 3.3700000000000001 110.358 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.716 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -56.15 -51.5 67.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.032 -0.358 . . . . 3.1699999999999999 110.032 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.49 74.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.216 0.532 . . . . 1.79 109.82 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 22.5 mt-10 -52.24 -53.46 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.376 -0.829 . . . . 2.6000000000000001 110.499 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.44 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 32.0 tp -51.23 -44.72 61.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.998 -0.546 . . . . 3.1200000000000001 111.176 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.73 23.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 1.78 111.524 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -35.28 29.72 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.506 0.558 . . . . 1.8100000000000001 112.506 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.619 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 50.0 m80 -62.49 -31.07 71.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.554 0.216 . . . . 3.2599999999999998 111.506 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -61.5 -65.34 2.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 C-N-CA 119.623 -0.831 . . . . 3.0099999999999998 110.414 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.548 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.1 Cg_exo -59.14 -40.07 73.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.621 1.547 . . . . 1.97 113.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.75 -50.95 12.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.952 0.723 . . . . 1.72 112.952 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.465 HG13 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -76.78 -39.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.147 0.425 . . . . 1.8500000000000001 112.147 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 97.0 mt-30 -66.18 -48.16 71.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 120.251 -0.58 . . . . 4.1100000000000003 109.969 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.58 -49.38 8.66 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.535 -0.84 . . . . 1.54 112.014 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.1 t -62.28 -57.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.808 0.299 . . . . 2.0699999999999998 111.808 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 64' ' ' GLN . 0.7 OUTLIER -53.32 -43.35 67.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.091 -0.244 . . . . 2.7999999999999998 111.224 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.54 -50.38 73.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.637 -0.256 . . . . 2.2400000000000002 110.982 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 m -62.47 -48.41 79.73 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.908 -0.405 . . . . 1.54 109.908 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.84 -43.09 60.47 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.478 -0.868 . . . . 1.05 111.331 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -61.66 -37.93 85.88 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 110.065 -0.346 . . . . 3.6699999999999999 110.065 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.046 -0.524 . . . . 4.1299999999999999 110.25 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.88 -42.25 79.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.122 0.487 . . . . 2.1000000000000001 109.792 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 m -60.97 -48.55 81.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.58 -0.736 . . . . 2.0899999999999999 111.121 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -51.49 -41.23 60.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.882 0.372 . . . . 2.3399999999999999 110.511 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.574 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 3.2 m-20 -76.88 -32.14 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.862 -0.608 . . . . 2.8900000000000001 110.11 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.3 t30 77.29 59.6 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.697 -0.683 . . . . 5.0999999999999996 111.101 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 133.12 44.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 5.3099999999999996 110.359 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.41 96.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 4.9100000000000001 110.401 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.92 -16.41 4.23 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.91 -0.586 . . . . 3.2000000000000002 112.095 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -42.61 -41.1 2.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.622 0.248 . . . . 4.7199999999999998 111.502 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -52.43 -53.41 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.379 . . . . 3.23 110.488 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -45.15 85.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.141 0.496 . . . . 2.9399999999999999 109.806 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 52.3 mt -53.21 -45.95 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 3.0 110.358 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -51.56 -49.23 62.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 3.7999999999999998 109.919 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -55.62 -48.84 74.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.326 -0.397 . . . . 3.8799999999999999 110.113 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -54.68 -51.06 66.68 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.073 -0.512 . . . . 5.25 110.417 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.16 -35.49 75.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 2.5299999999999998 109.928 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.35 -30.01 64.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.001 -0.545 . . . . 1.5600000000000001 110.95 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.68 -48.92 62.7 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.314 -0.403 . . . . 3.3700000000000001 109.947 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 3.7 t80 -53.78 -46.89 71.16 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.119 -0.697 . . . . 1.71 109.119 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.31 -54.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.739 -0.664 . . . . 1.8799999999999999 110.421 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.956 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.98 -48.53 43.24 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 109.573 -0.528 . . . . 1.71 109.573 179.068 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.956 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -52.02 -59.57 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.522 -0.547 . . . . 3.2000000000000002 109.522 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.499 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 22.3 t90 -45.69 -46.61 14.91 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.864 -0.607 . . . . 3.6600000000000001 109.853 178.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.458 ' CB ' ' HZ1' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -49.11 -51.35 32.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.411 -0.813 . . . . 3.3199999999999998 110.676 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.705 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -54.21 -48.75 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 3.0299999999999998 110.552 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.92 -45.51 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 2.8900000000000001 110.277 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -56.68 -51.81 67.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.001 -0.545 . . . . 4.4800000000000004 109.782 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.72 -52.89 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 4.0999999999999996 110.136 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mp -51.09 -48.16 61.73 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.264 -0.425 . . . . 3.0800000000000001 110.611 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.16 66.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.24 -0.436 . . . . 2.2400000000000002 110.883 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.98 98.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 2.5600000000000001 110.774 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.65 82.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 2.7599999999999998 110.926 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -59.7 -47.74 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 5.0999999999999996 110.986 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.91 92.68 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.713 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.768 0.318 . . . . 4.4100000000000001 111.176 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 t60 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.494 0.188 . . . . 4.8200000000000003 111.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -60.5 -49.5 77.29 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.907 -0.405 . . . . 4.4699999999999998 109.907 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -50.94 -32.92 22.35 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 109.396 -0.594 . . . . 1.29 109.396 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.92 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -52.76 -46.84 67.69 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.504 -0.925 . . . . 3.2799999999999998 108.504 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.714 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 3.5 tpt180 -59.87 -48.43 81.72 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.196 -1.039 . . . . 5.04 108.196 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -51.41 -42.26 61.34 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.805 -0.634 . . . . 2.1000000000000001 109.928 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.483 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.8 -56.22 19.46 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.357 -0.609 . . . . 2.7200000000000002 109.357 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.06 -47.21 71.89 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.664 -0.865 . . . . 2.46 108.664 177.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 99.7 m-20 -51.01 -41.25 59.66 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.794 -0.447 . . . . 2.4900000000000002 109.794 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HG2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -55.0 -66.97 0.31 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.491 0.662 . . . . 3.0699999999999998 109.367 178.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -49.68 -35.12 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.714 -1.13 . . . . 2.5 110.182 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -59.61 -35.52 74.5 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.767 -0.651 . . . . 2.1200000000000001 109.76 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.645 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 55.8 t-105 -53.77 -59.87 4.05 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.174 -0.676 . . . . 2.8799999999999999 109.174 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.0 mt -39.12 -53.43 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-N 116.241 -0.436 . . . . 2.46 110.473 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -55.02 -50.65 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.438 . . . . 3.8999999999999999 110.836 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.43 -42.29 86.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 3.4500000000000002 111.308 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 1.386 ' CE ' ' OE2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.37 -44.94 74.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.855 -0.424 . . . . 3.25 109.855 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -41.31 48.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.215 -0.661 . . . . 3.9900000000000002 109.215 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.97 -47.66 74.27 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.864 -0.607 . . . . 3.6299999999999999 109.849 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD23 ' CD ' ' A' ' 55' ' ' GLU . 2.7 tp -55.46 -47.48 76.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.845 -0.616 . . . . 3.6499999999999999 109.842 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.15 -36.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 2.8599999999999999 110.266 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -34.72 74.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.895 -0.593 . . . . 3.1200000000000001 110.338 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -80.28 -38.63 30.43 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.549 . . . . 3.25 109.896 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.89 22.01 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.391 -0.822 . . . . 4.3700000000000001 112.026 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 56.12 17.53 2.75 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.28 0.474 . . . . 4.9000000000000004 112.28 179.159 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -52.42 148.78 6.36 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.672 0.272 . . . . 9.8000000000000007 110.609 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.35 94.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.727 . . . . 5.1699999999999999 112.632 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.09 88.02 0.05 OUTLIER 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.109 0.48 . . . . 7.8799999999999999 111.392 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.686 ' C ' ' OD1' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -101.73 -21.68 14.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.707 -0.679 . . . . 5.96 110.605 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.598 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 63.7 mt -42.35 -46.14 4.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.002 -0.545 . . . . 5.7300000000000004 111.356 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 t -75.74 69.31 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.796 -0.446 . . . . 4.3499999999999996 109.796 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.92 -40.76 0.83 Allowed Glycine 0 C--O 1.225 -0.424 0 C-N-CA 121.236 -0.507 . . . . 4.2800000000000002 113.676 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -57.29 -60.65 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 117.157 0.479 . . . . 4.8200000000000003 111.816 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.18 -26.79 67.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 4.7400000000000002 109.985 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -66.08 -44.36 84.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 4.1299999999999999 110.48 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.07 -53.96 48.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.909 -0.404 . . . . 4.5999999999999996 109.909 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.73 75.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 6.1799999999999997 110.148 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.563 . . . . 4.71 110.084 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.17 -53.85 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 4.54 109.916 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.29 -47.71 62.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.081 -0.508 . . . . 4.0 110.237 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -45.33 71.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.948 -0.569 . . . . 3.6099999999999999 110.428 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -59.61 -41.8 91.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.13 -0.487 . . . . 4.8099999999999996 110.002 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.23 -56.51 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.568 -0.742 . . . . 3.3700000000000001 110.477 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -45.75 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 3.1699999999999999 110.359 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.57 81.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 1.79 110.188 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 1.386 ' OE2' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.56 -55.76 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 2.6000000000000001 110.88 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 3.1200000000000001 111.15 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.14 -38.3 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 1.78 110.941 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.39 -25.66 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 1.8100000000000001 111.796 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.645 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 26.5 m80 -72.99 -41.01 64.77 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.503 -0.317 . . . . 3.2599999999999998 111.217 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.496 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -53.99 -61.34 5.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 3.0099999999999998 111.524 -178.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 44.5 Cg_exo -57.33 -51.32 8.78 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.205 1.937 . . . . 1.97 112.796 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.14 64.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.092 -0.503 . . . . 1.72 112.033 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.5 -57.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.936 -0.574 . . . . 1.8500000000000001 111.202 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -47.2 -48.93 23.76 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.271 -0.422 . . . . 4.1100000000000003 110.7 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.61 -55.22 7.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.607 -0.806 . . . . 1.54 112.277 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.0 t -59.0 -50.11 80.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.021 0.438 . . . . 2.0699999999999998 110.787 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.81 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 2.7999999999999998 110.848 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -51.97 -49.22 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.2400000000000002 110.639 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 m -57.96 -51.82 68.05 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.791 0.329 . . . . 1.54 110.503 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.08 -38.04 83.36 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.356 -0.926 . . . . 1.05 111.809 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -63.67 -35.35 80.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.69 -0.485 . . . . 3.6699999999999999 109.69 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -47.35 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.296 -0.411 . . . . 4.1299999999999999 109.996 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 2.1000000000000001 109.474 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.0 m -60.93 -47.97 83.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.215 -0.902 . . . . 2.0899999999999999 112.032 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -47.48 -59.72 3.04 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.199 -0.455 . . . . 2.3399999999999999 112.204 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -36.38 61.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.35 . . . . 2.8900000000000001 111.738 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -54.91 -53.69 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 5.0999999999999996 111.451 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m 73.86 -65.23 0.36 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.226 -0.443 . . . . 5.3099999999999996 110.536 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.31 100.05 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 4.9100000000000001 110.375 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.37 -25.44 2.48 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 111.433 -0.667 . . . . 3.2000000000000002 111.433 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.506 ' HZ1' ' CD ' ' A' ' 82' ' ' GLU . 1.4 pptp? -46.17 -38.42 8.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.664 0.268 . . . . 4.7199999999999998 110.97 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.506 ' CD ' ' HZ1' ' A' ' 81' ' ' LYS . 3.8 mp0 -50.6 -50.89 52.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 3.23 110.722 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -49.42 72.7 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.336 -0.393 . . . . 2.9399999999999999 110.029 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.68 -49.49 56.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 3.0 110.328 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.31 -49.07 64.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 3.7999999999999998 110.205 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -49.22 76.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 3.8799999999999999 110.046 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -51.4 67.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 5.25 110.937 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.93 -38.27 78.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.41 . . . . 2.5299999999999998 110.107 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.3 69.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.856 -0.611 . . . . 1.5600000000000001 110.843 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -66.96 -43.34 83.34 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.143 -0.48 . . . . 3.3700000000000001 110.097 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 19' ' ' GLU . 80.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.571 -0.529 . . . . 1.71 109.571 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.2 t -53.7 -52.68 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 1.8799999999999999 109.84 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.7 OUTLIER -46.3 -55.29 7.46 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.164 -0.471 . . . . 1.71 110.337 178.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.629 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 43.7 m80 -54.87 -56.75 16.08 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.815 -0.439 . . . . 3.2000000000000002 109.815 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.616 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 25.7 t90 -46.05 -42.94 14.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.819 -0.628 . . . . 3.6600000000000001 110.282 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -59.81 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 3.3199999999999998 110.391 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.942 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -49.84 -46.08 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 3.0299999999999998 110.457 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -59.21 -47.11 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.312 -0.404 . . . . 2.8900000000000001 110.509 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -47.36 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 4.4800000000000004 110.059 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.65 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 4.0999999999999996 110.378 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.942 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 24.0 mt -53.34 -46.0 69.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.556 -0.293 . . . . 3.0800000000000001 110.662 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.46 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 2.2400000000000002 110.881 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.88 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 2.5600000000000001 110.595 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.83 75.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.903 -0.589 . . . . 2.7599999999999998 110.859 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -57.97 -43.35 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 5.0999999999999996 110.094 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.74 -27.78 20.96 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.844 -0.616 . . . . 3.27 113.144 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 112.032 0.382 . . . . 4.4100000000000001 112.032 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 4.8200000000000003 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.27 -42.83 92.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 4.4699999999999998 110.703 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CD2' HD12 ' A' ' 73' ' ' LEU . 41.1 t80 -54.67 -44.84 73.69 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.582 -0.447 . . . . 1.29 110.814 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -49.19 -51.92 29.86 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.569 -0.453 . . . . 3.2799999999999998 110.003 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -52.76 64.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 5.04 110.248 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.3 -44.78 54.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.855 0.36 . . . . 2.1000000000000001 110.721 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.4 tpt -54.93 -58.71 6.51 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.139 -0.482 . . . . 2.7200000000000002 110.798 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -46.22 81.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.808 -0.357 . . . . 2.46 110.374 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -42.33 71.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.699 0.285 . . . . 2.4900000000000002 110.396 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.591 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 14.7 tt0 -64.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.539 . . . . 3.0699999999999998 109.597 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -46.67 -37.36 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.733 -0.667 . . . . 2.5 109.654 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -51.33 69.76 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.811 -0.632 . . . . 2.1200000000000001 109.762 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 18.0 t90 -49.58 -45.63 48.06 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 116.272 -0.422 . . . . 2.8799999999999999 109.963 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -46.48 -56.13 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-O 120.902 0.382 . . . . 2.46 110.528 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 2.9 mttp -58.18 -42.35 85.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.32 -0.4 . . . . 3.8999999999999999 110.825 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.8 -41.7 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 3.4500000000000002 111.157 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -52.1 61.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.003 -0.279 . . . . 3.25 110.282 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.91 -43.53 63.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.92 0.39 . . . . 3.9900000000000002 110.782 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.63 -34.24 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 3.6299999999999999 110.421 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.45 -36.5 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.862 -0.608 . . . . 3.6499999999999999 110.771 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' HA ' ' HG2' ' A' ' 33' ' ' GLU . 2.7 t -59.57 -50.15 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 120.966 0.413 . . . . 2.8599999999999999 110.886 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.511 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 15.0 m -51.25 -36.48 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 3.1200000000000001 111.347 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.01 -53.41 6.44 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.384 0.513 . . . . 3.25 112.384 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 9.4 pt-20 -54.26 -36.62 63.79 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 4.3700000000000001 111.514 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.511 ' OD1' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -73.76 128.96 36.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 4.9000000000000004 111.628 -179.427 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.554 ' HH ' ' HZ3' ' A' ' 47' ' ' LYS . 7.7 p90 -177.44 176.68 1.27 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.608 -0.723 . . . . 9.8000000000000007 109.509 179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.01 165.91 24.17 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.589 -0.815 . . . . 5.1699999999999999 113.213 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' ASP . 8.7 tpp180 -153.63 85.45 1.18 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 110.347 -0.242 . . . . 7.8799999999999999 110.347 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -19.69 -74.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.847 0.684 . . . . 5.96 112.847 -179.565 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mp -30.58 -46.01 0.07 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.595 0.591 . . . . 5.7300000000000004 112.595 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 m -140.66 55.89 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.35 -0.386 . . . . 4.3499999999999996 110.197 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.99 -61.17 7.82 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 121.115 -0.564 . . . . 4.2800000000000002 114.026 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 m -52.7 -58.02 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.276 0.472 . . . . 4.8200000000000003 112.276 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.5 -42.25 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.602 0.239 . . . . 4.7400000000000002 110.757 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -59.15 -46.23 88.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.526 -0.306 . . . . 4.1299999999999999 110.48 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.5 mt -61.51 -50.53 72.35 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 4.5999999999999996 110.355 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -55.86 -35.15 66.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.207 -0.452 . . . . 6.1799999999999997 110.047 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.554 ' HZ3' ' HH ' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -60.97 -46.14 91.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.015 -0.539 . . . . 4.71 109.797 179.454 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -57.4 -51.65 68.56 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.171 -0.677 . . . . 4.54 109.171 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.584 ' CE1' ' HE ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -52.31 -48.11 65.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.546 -0.752 . . . . 4.0 110.325 179.26 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -46.56 31.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.254 -0.43 . . . . 3.6099999999999999 110.555 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -40.14 96.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.075 0.464 . . . . 4.8099999999999996 109.98 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.38 -49.15 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.654 . . . . 3.3700000000000001 110.059 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.35 -50.86 49.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.33 -0.396 . . . . 3.1699999999999999 110.273 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.39 -51.69 61.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.332 -0.394 . . . . 1.79 109.982 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -51.09 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.493 -0.558 . . . . 2.6000000000000001 109.493 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.488 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -39.85 -45.63 1.84 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.594 -0.73 . . . . 3.1200000000000001 111.305 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.77 88.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.913 0.387 . . . . 1.78 111.049 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.25 -20.77 11.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.8100000000000001 112.168 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.627 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 17.8 m80 -62.86 -31.04 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.533 0.197 . . . . 3.2599999999999998 111.533 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.538 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 3.3 mp0 -64.71 -62.45 4.91 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.429 -0.508 . . . . 3.0099999999999998 110.91 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -56.23 -41.05 80.61 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 121.433 1.422 . . . . 1.97 112.486 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.69 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.168 0.803 . . . . 1.72 113.168 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -76.66 -39.55 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.097 0.406 . . . . 1.8500000000000001 112.097 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -56.0 -46.81 78.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.362 -0.236 . . . . 4.1100000000000003 110.362 179.312 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.05 15.88 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 120.358 -0.925 . . . . 1.54 111.214 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.433 HG23 ' HB2' ' A' ' 19' ' ' GLU . 22.5 t -55.76 -52.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 2.0699999999999998 109.861 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 tp -51.78 -52.56 48.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 2.7999999999999998 110.307 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -48.98 67.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 2.2400000000000002 110.489 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.0 m -56.96 -47.45 80.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.05 0.453 . . . . 1.54 109.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.423 ' HA2' ' HG ' ' A' ' 73' ' ' LEU . . . -56.6 -39.38 85.32 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.567 -0.825 . . . . 1.05 111.949 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.661 ' O ' ' OD2' ' A' ' 75' ' ' ASP . 11.0 mtpt -57.05 -40.59 77.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.587 -0.523 . . . . 3.6699999999999999 109.587 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HA ' ' OD2' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -56.47 -44.94 81.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.839 -0.618 . . . . 4.1299999999999999 110.344 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 12' ' ' PHE . 10.7 mt -51.39 -51.56 53.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 2.1000000000000001 109.987 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 m -58.46 -40.78 83.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 2.0899999999999999 110.405 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.701 ' OD2' ' HA ' ' A' ' 72' ' ' LYS . 19.4 m-20 -57.46 -37.01 72.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.797 -0.638 . . . . 2.3399999999999999 111.273 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.86 26.21 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.478 -0.328 . . . . 2.8900000000000001 111.394 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -145.88 121.93 10.74 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.904 0.383 . . . . 5.0999999999999996 111.097 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.3 t -67.99 -52.59 33.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 5.3099999999999996 110.526 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.78 101.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.968 -0.56 . . . . 4.9100000000000001 110.498 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.04 -38.84 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.008 -0.615 . . . . 3.2000000000000002 111.743 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -48.36 -41.4 28.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.73 0.3 . . . . 4.7199999999999998 110.665 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -51.2 -55.62 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 3.23 110.877 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.31 78.0 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.182 0.515 . . . . 2.9399999999999999 109.943 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.5 mt -52.27 -49.11 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 3.0 110.379 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.2 -47.06 69.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 3.7999999999999998 110.537 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.05 -49.18 74.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 3.8799999999999999 110.161 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -57.7 -51.42 69.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.058 -0.519 . . . . 5.25 110.498 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 tp -54.32 -41.45 69.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.521 . . . . 2.5299999999999998 110.088 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.506 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -56.21 -36.81 68.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 1.5600000000000001 110.45 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.32 -45.19 88.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 3.3700000000000001 110.305 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 25.5 t80 -59.79 -46.71 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 1.71 110.526 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.506 HG11 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -58.37 -44.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.324 -0.398 . . . . 1.8799999999999999 110.546 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 1.026 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.94 -51.56 56.16 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.589 -0.523 . . . . 1.71 109.589 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 1.026 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 23.0 m170 -50.52 -57.9 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 3.2000000000000002 110.253 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.426 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 10.4 t90 -50.51 -44.83 56.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 3.6600000000000001 110.833 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -50.5 -49.86 54.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.53 -0.305 . . . . 3.3199999999999998 110.495 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.38 -49.45 64.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 3.0299999999999998 110.076 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.53 80.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.8900000000000001 110.602 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.38 -46.89 79.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.849 -0.426 . . . . 4.4800000000000004 109.849 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -55.77 24.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.978 -0.556 . . . . 4.0999999999999996 109.825 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.7 tp -49.22 -50.26 39.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.562 . . . . 3.0800000000000001 110.097 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.87 -47.76 67.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.072 -0.513 . . . . 2.2400000000000002 110.337 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.62 67.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.965 -0.561 . . . . 2.5600000000000001 109.978 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.85 85.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 2.7599999999999998 110.247 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.584 ' HE ' ' CE1' ' A' ' 49' ' ' HIS . 3.8 tmm_? -50.33 -40.13 48.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.944 -0.571 . . . . 5.0999999999999996 110.032 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.83 -34.67 83.31 Favored Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.81 -0.632 . . . . 3.27 112.224 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 4.4100000000000001 110.74 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.1 m80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.833 0.349 . . . . 4.8200000000000003 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.52 -50.75 72.62 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.743 -0.836 . . . . 4.4699999999999998 108.743 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -48.31 23.0 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.127 -0.694 . . . . 1.29 109.127 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -50.89 -51.1 55.03 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.38 -0.6 . . . . 3.2799999999999998 109.38 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -57.71 -52.16 66.57 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.676 -0.49 . . . . 5.04 109.676 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.58 -49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.781 -0.451 . . . . 2.1000000000000001 109.781 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 1.459 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 4.0 ttp -56.62 -52.72 63.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.071 0.462 . . . . 2.7200000000000002 110.18 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.48 -44.71 62.54 Favored 'General case' 0 C--N 1.335 -0.062 0 N-CA-C 109.608 -0.515 . . . . 2.46 109.608 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -49.47 64.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 2.4900000000000002 109.408 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 1.459 ' OE1' ' CA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -59.7 -52.08 67.02 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.103 -0.702 . . . . 3.0699999999999998 109.103 178.154 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.864 ' OE1' ' HA ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -42.53 -48.11 5.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.839 -0.619 . . . . 2.5 109.525 178.714 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.83 -49.54 75.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.437 -0.579 . . . . 2.1200000000000001 109.437 178.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.655 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 2.4 t90 -51.05 -38.26 50.43 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.944 -0.571 . . . . 2.8799999999999999 109.987 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG12 ' CE3' ' A' ' 22' ' ' TRP . 1.9 mm -58.9 -57.27 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 2.46 109.983 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -52.86 -42.88 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.297 0.57 . . . . 3.8999999999999999 109.918 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.37 -35.73 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.24 -0.891 . . . . 3.4500000000000002 110.803 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 10.6 tptp -68.26 -42.06 80.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.197 -0.456 . . . . 3.25 110.006 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -56.24 -45.12 80.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.084 -0.507 . . . . 3.9900000000000002 110.399 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.2 -43.88 92.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.209 0.528 . . . . 3.6299999999999999 110.503 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.61 -46.9 87.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 3.6499999999999999 110.742 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.437 ' CG2' ' HZ3' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -56.3 -44.11 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 2.8599999999999999 110.708 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 m -56.32 -34.0 66.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 3.1200000000000001 111.216 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -76.55 -51.43 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 3.25 111.195 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.09 -43.12 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 4.3700000000000001 111.371 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.817 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.22 68.37 3.33 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.998 0.428 . . . . 4.9000000000000004 111.035 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -163.71 -66.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.65 -0.705 . . . . 9.8000000000000007 110.124 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.49 -148.48 49.83 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.923 -0.656 . . . . 5.1699999999999999 112.977 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 135.92 33.69 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.478 0.18 . . . . 7.8799999999999999 110.773 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 40' ' ' THR . 5.8 t70 -36.96 -61.72 0.53 Allowed 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.255 0.465 . . . . 5.96 112.255 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.9 18.25 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.225 0.454 . . . . 5.7300000000000004 112.225 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.492 ' H ' ' C ' ' A' ' 38' ' ' ASP . 3.1 m -152.87 13.23 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.735 0.302 . . . . 4.3499999999999996 110.243 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.73 -55.0 25.31 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.967 -0.635 . . . . 4.2800000000000002 112.91 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.56 -59.47 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.727 0.269 . . . . 4.8200000000000003 111.727 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.77 -32.69 69.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.744 0.307 . . . . 4.7400000000000002 111.15 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -70.29 -39.32 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 4.1299999999999999 110.269 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -51.25 66.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 4.5999999999999996 109.699 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -53.93 -47.54 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 6.1799999999999997 110.807 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -62.9 -46.69 86.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 4.71 110.262 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -57.3 -45.48 84.12 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.714 -0.476 . . . . 4.54 109.714 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.415 ' CD2' HH22 ' A' ' 105' ' ' ARG . 7.5 t-80 -48.4 -54.11 15.25 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.427 . . . . 4.0 110.134 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -46.37 64.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.908 -0.587 . . . . 3.6099999999999999 109.964 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -69.31 -25.8 64.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 4.8099999999999996 110.329 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -46.79 85.72 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.101 -0.499 . . . . 3.3700000000000001 109.929 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.48 -47.7 69.55 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.505 -0.554 . . . . 3.1699999999999999 109.505 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.28 71.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.88 -0.6 . . . . 1.79 109.953 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.04 -56.72 12.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.803 -0.635 . . . . 2.6000000000000001 110.442 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.753 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 14.5 mt -55.56 -36.84 67.26 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.285 -0.416 . . . . 3.1200000000000001 111.216 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -56.92 -36.65 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 1.78 111.406 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.87 -33.59 30.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.309 . . . . 1.8100000000000001 111.816 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.655 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 1.5 m80 -73.36 -23.25 60.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 3.2599999999999998 111.509 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.753 ' OE1' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -68.21 -61.57 3.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.57 -0.286 . . . . 3.0099999999999998 110.269 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 38.4 Cg_exo -58.67 -34.36 98.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.305 2.003 . . . . 1.97 111.748 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.83 10.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 1.72 111.258 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 91' ' ' PHE . 3.0 mt -66.59 -46.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.8500000000000001 111.157 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.13 -52.77 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 4.1100000000000003 110.465 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.95 -46.91 32.41 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.745 -0.741 . . . . 1.54 111.69 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 1.044 HG22 ' OE2' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -61.96 -47.13 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.986 -0.376 . . . . 2.0699999999999998 109.986 179.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.5 tt -51.8 -52.88 45.85 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.849 -0.426 . . . . 2.7999999999999998 109.849 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.03 -49.27 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 2.2400000000000002 110.1 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -51.35 -49.04 62.22 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.372 -0.376 . . . . 1.54 110.338 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.72 -50.48 43.1 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.249 -0.977 . . . . 1.05 111.28 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -57.06 -34.85 68.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.14 0.495 . . . . 3.6699999999999999 109.687 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -50.64 73.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.649 -0.705 . . . . 4.1299999999999999 110.439 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.8 mt -49.84 -41.09 44.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.11 0.481 . . . . 2.1000000000000001 110.405 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -58.55 -48.83 79.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.757 -0.656 . . . . 2.0899999999999999 111.675 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -38.34 90.75 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.066 -0.254 . . . . 2.3399999999999999 111.178 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.09 -47.37 86.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.094 0.474 . . . . 2.8900000000000001 110.324 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -158.11 87.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.67 -0.695 . . . . 5.0999999999999996 110.078 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.22 136.75 48.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 5.3099999999999996 111.305 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 mt -141.03 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.763 -0.653 . . . . 4.9100000000000001 109.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.4 56.85 0.6 Allowed Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.7 -0.682 . . . . 3.2000000000000002 111.913 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.3 -46.07 3.15 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.843 0.312 . . . . 4.7199999999999998 111.843 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.9 pm0 -59.08 -49.35 78.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 3.23 110.598 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.485 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -53.22 -48.67 67.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.969 0.414 . . . . 2.9399999999999999 110.246 179.28 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.23 -52.86 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 3.0 110.132 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -41.64 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.834 -0.621 . . . . 3.7999999999999998 110.702 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -61.15 -50.33 73.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 3.8799999999999999 110.72 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.4 ' NH1' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.79 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 5.25 111.053 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.72 -35.8 80.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.976 0.417 . . . . 2.5299999999999998 110.449 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.471 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -56.37 -39.89 73.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.019 -0.537 . . . . 1.5600000000000001 110.434 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -58.4 -48.64 79.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.106 0.479 . . . . 3.3700000000000001 110.295 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.864 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 2.7 t80 -52.26 -51.65 57.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.619 . . . . 1.71 111.166 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.471 HG11 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -60.3 -44.84 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.677 -0.409 . . . . 1.8799999999999999 110.449 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.818 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.3 -50.88 61.31 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.616 0.246 . . . . 1.71 110.46 179.034 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.818 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.5 t-80 -59.06 -50.74 72.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.037 0.446 . . . . 3.2000000000000002 110.053 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -52.87 -44.04 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.712 -0.676 . . . . 3.6600000000000001 110.109 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -56.66 18.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 3.3199999999999998 109.579 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -47.88 -46.84 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 3.0299999999999998 110.081 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -55.79 29.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.945 -0.57 . . . . 2.8900000000000001 110.442 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -45.66 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 4.4800000000000004 109.824 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.95 -53.41 58.31 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.854 -0.612 . . . . 4.0999999999999996 110.08 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.13 -43.67 52.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.968 -0.56 . . . . 3.0800000000000001 110.248 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.29 -55.02 32.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 2.2400000000000002 110.462 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.26 -49.58 52.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 2.5600000000000001 110.686 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.89 96.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.932 -0.577 . . . . 2.7599999999999998 110.928 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NE ' ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -58.07 -36.98 73.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 5.0999999999999996 110.292 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.437 ' N ' ' NE ' ' A' ' 105' ' ' ARG . . . -54.86 -46.26 77.06 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.899 -0.667 . . . . 3.27 112.21 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.817 0.342 . . . . 4.4100000000000001 110.693 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.649 0.261 . . . . 4.8200000000000003 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.96 -51.61 68.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.834 0.349 . . . . 4.4699999999999998 110.17 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CD2' HD12 ' A' ' 73' ' ' LEU . 52.5 t80 -50.55 -35.39 29.51 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.576 -0.45 . . . . 1.29 110.095 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.17 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -49.97 -46.78 52.77 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.859 -0.793 . . . . 3.2799999999999998 108.859 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 1.075 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -61.66 -50.66 71.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.706 -0.679 . . . . 5.04 109.256 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.82 -51.18 41.81 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.945 0.402 . . . . 2.1000000000000001 110.382 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.526 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -51.25 -56.43 12.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.185 0.516 . . . . 2.7200000000000002 110.089 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 1.17 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.61 -49.83 69.52 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.069 -0.514 . . . . 2.46 109.857 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.91 -44.26 50.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 2.4900000000000002 110.464 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.657 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -49.27 -61.95 1.81 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.846 -0.616 . . . . 3.0699999999999998 111.26 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.55 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 6.2 tp10 -64.8 -38.88 92.46 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.536 -0.542 . . . . 2.5 109.536 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -28.13 63.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.599 -0.728 . . . . 2.1200000000000001 110.102 179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 18.6 t-105 -57.28 -58.53 7.83 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 120.167 -0.613 . . . . 2.8799999999999999 109.58 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -44.44 -56.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 2.46 110.538 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -52.57 62.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 3.8999999999999999 112.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -27.9 68.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.342 -0.39 . . . . 3.4500000000000002 111.911 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HZ1' ' CE1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -76.67 -42.96 39.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.604 -0.517 . . . . 3.25 109.604 179.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -55.18 -40.91 71.23 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.674 -0.491 . . . . 3.9900000000000002 109.674 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.67 88.91 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.966 -0.561 . . . . 3.6299999999999999 110.072 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.44 -46.12 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.948 -0.569 . . . . 3.6499999999999999 110.067 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -60.22 -43.31 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.825 -0.625 . . . . 2.8599999999999999 110.543 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -53.65 -36.1 61.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.198 -0.456 . . . . 3.1200000000000001 110.304 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -77.88 -59.9 2.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.831 -0.622 . . . . 3.25 110.3 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' HG3' HH21 ' A' ' 51' ' ' ARG . 3.0 tp10 73.39 -66.41 0.31 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.868 -0.605 . . . . 4.3700000000000001 111.359 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.972 ' CG ' ' H ' ' A' ' 35' ' ' TYR . 1.9 p-10 -147.97 -79.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.39 . . . . 4.9000000000000004 110.385 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.972 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 56.7 m-85 -127.48 27.68 5.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.022 -0.535 . . . . 9.8000000000000007 110.258 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.64 17.71 6.9 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 115.786 -0.643 . . . . 5.1699999999999999 113.563 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 39' ' ' LEU . 8.5 ttt180 -174.99 -53.01 0.01 OUTLIER 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.984 0.392 . . . . 7.8799999999999999 111.098 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 1.284 ' OD1' ' CG2' ' A' ' 40' ' ' THR . 0.0 OUTLIER 58.84 4.39 0.39 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.873 -0.603 . . . . 5.96 111.989 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 37' ' ' ARG . 12.9 tp 51.28 28.26 4.12 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.868 0.366 . . . . 5.7300000000000004 110.913 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 1.284 ' CG2' ' OD1' ' A' ' 38' ' ' ASP . 11.6 t -169.96 99.1 0.3 Allowed 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 116.292 -0.413 . . . . 4.3499999999999996 110.593 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.97 -48.85 79.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 4.2800000000000002 112.968 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.2 t -57.27 -60.15 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.248 0.462 . . . . 4.8200000000000003 112.248 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.412 ' CB ' HG22 ' A' ' 40' ' ' THR . 0.9 OUTLIER -56.99 -41.16 77.91 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.923 -0.311 . . . . 4.7400000000000002 110.476 -179.706 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 1.191 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 15.3 t-20 -59.86 -47.26 86.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.207 -0.451 . . . . 4.1299999999999999 110.616 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.45 -48.82 80.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.29 -0.414 . . . . 4.5999999999999996 109.923 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -52.04 -40.36 60.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 6.1799999999999997 110.029 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -42.02 92.67 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.905 -0.589 . . . . 4.71 110.012 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -57.04 -46.45 82.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.121 -0.491 . . . . 4.54 110.088 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -54.09 -55.79 24.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.118 -0.492 . . . . 4.0 110.607 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -58.62 -36.13 73.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 3.6099999999999999 110.504 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.403 HH21 ' HG3' ' A' ' 33' ' ' GLU . 3.0 ttm-85 -69.98 -31.35 69.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.953 -0.567 . . . . 4.8099999999999996 110.153 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.04 -50.42 73.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 3.3700000000000001 110.001 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.24 -54.59 24.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 3.1699999999999999 109.933 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.06 72.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 1.79 110.403 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.889 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.82 -50.38 63.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.831 -0.622 . . . . 2.6000000000000001 110.541 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.54 -41.5 66.48 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.25 -0.432 . . . . 3.1200000000000001 111.013 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.21 94.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 1.78 110.954 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.22 -20.56 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 1.8100000000000001 111.412 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 m80 -66.58 -41.6 88.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 3.2599999999999998 111.836 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -62.91 -60.46 9.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 121.034 -0.266 . . . . 3.0099999999999998 111.436 -178.614 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.5 Cg_exo -53.14 -42.92 61.32 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.25 1.967 . . . . 1.97 112.434 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 -60.69 3.1 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 1.72 111.854 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.558 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 3.2 mp -63.74 -41.95 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.8500000000000001 111.158 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -55.79 -45.18 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.573 -0.285 . . . . 4.1100000000000003 110.459 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.15 -47.78 15.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.671 . . . . 1.54 112.114 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.07 -51.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.889 0.376 . . . . 2.0699999999999998 110.183 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.37 -55.05 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 2.7999999999999998 110.251 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -50.68 -54.33 23.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.426 . . . . 2.2400000000000002 110.578 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.4 m -52.3 -47.55 65.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.898 0.38 . . . . 1.54 110.257 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.91 -45.56 49.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.356 -0.926 . . . . 1.05 111.56 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -61.72 -37.84 85.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.05 -0.352 . . . . 3.6699999999999999 110.05 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 5.2 mmtm -53.1 -46.14 68.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.208 -0.451 . . . . 4.1299999999999999 110.737 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.429 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.6 mt -50.78 -50.16 56.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.192 0.52 . . . . 2.1000000000000001 110.066 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 2.0899999999999999 111.448 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.32 -23.36 62.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 2.3399999999999999 112.083 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.597 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 23.3 m-20 -82.58 -53.12 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.572 0.212 . . . . 2.8900000000000001 111.572 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.7 p30 179.82 -32.23 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.616 0.246 . . . . 5.0999999999999996 110.919 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.413 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 8.9 m -75.57 68.63 2.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.349 -0.387 . . . . 5.3099999999999996 110.545 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mt -63.03 91.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.24 -0.436 . . . . 4.9100000000000001 111.178 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.0 30.92 2.42 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.899 -0.591 . . . . 3.2000000000000002 111.913 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -40.73 -59.41 1.4 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.217 0.451 . . . . 4.7199999999999998 112.217 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -47.36 -52.35 16.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 3.23 111.235 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.37 -49.91 66.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.36 -0.382 . . . . 2.9399999999999999 110.728 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.13 -44.86 88.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.992 0.425 . . . . 3.0 110.231 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.06 -46.78 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 3.7999999999999998 110.789 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.27 -54.69 36.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 3.8799999999999999 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 5.25 111.043 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.6 tp -64.69 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.412 -0.358 . . . . 2.5299999999999998 110.773 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.41 72.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.515 -0.311 . . . . 1.5600000000000001 110.542 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.32 -48.42 64.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 3.3700000000000001 109.949 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -57.88 -49.96 74.94 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.845 -0.616 . . . . 1.71 110.031 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.19 -45.35 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.8799999999999999 110.009 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -50.75 -51.48 49.77 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.21 -0.45 . . . . 1.71 110.55 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.2 -47.19 77.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.513 0.673 . . . . 3.2000000000000002 109.469 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.535 ' CZ2' ' HB3' ' A' ' 59' ' ' HIS . 5.4 t-105 -54.49 -36.76 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.926 -1.034 . . . . 3.6600000000000001 112.154 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -64.9 -47.69 76.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.745 -0.382 . . . . 3.3199999999999998 110.907 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 2.0 pt-20 -61.9 -36.29 80.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.801 -0.444 . . . . 3.0299999999999998 109.801 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 3.6 mp -61.55 -56.32 21.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 2.8900000000000001 110.352 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -53.0 -46.94 68.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.8 -0.444 . . . . 4.4800000000000004 109.8 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.15 -55.83 26.72 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.18 -0.464 . . . . 4.0999999999999996 110.362 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.98 -46.58 61.4 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.413 -0.358 . . . . 3.0800000000000001 110.482 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.11 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 2.2400000000000002 110.619 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -46.72 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 2.5600000000000001 110.829 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.7 86.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 2.7599999999999998 110.646 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -45.0 81.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 5.0999999999999996 110.466 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.41 -31.72 74.46 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.994 -0.622 . . . . 3.27 112.535 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 4.4100000000000001 110.552 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.998 0.428 . . . . 4.8200000000000003 110.213 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -50.1 -48.84 53.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 4.4699999999999998 110.846 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 21.0 t80 -52.43 -49.84 63.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 120.305 -0.558 . . . . 1.29 109.843 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.88 -49.0 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 3.2799999999999998 109.731 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' NH1' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -61.67 -50.7 71.45 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.661 -0.699 . . . . 5.04 110.164 179.083 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.93 -44.34 60.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 2.1000000000000001 110.147 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -60.03 3.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.156 0.503 . . . . 2.7200000000000002 110.515 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.769 ' C ' ' OD1' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.827 -0.624 . . . . 2.46 110.162 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 4.2 m-20 -58.48 -42.25 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 2.4900000000000002 110.534 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HG2' ' CE2' ' A' ' 91' ' ' PHE . 1.6 tp10 -63.17 -55.55 24.15 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.242 -0.651 . . . . 3.0699999999999998 109.242 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.21 -47.07 17.93 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.037 -0.529 . . . . 2.5 109.89 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 m -59.81 -47.91 83.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.325 -0.398 . . . . 2.1200000000000001 110.234 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.64 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 7.2 t90 -55.47 -38.86 69.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.287 -0.415 . . . . 2.8799999999999999 110.651 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG12 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm -63.68 -54.73 28.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 110.026 -0.361 . . . . 2.46 110.026 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HZ3' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -52.78 -43.19 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.2 0.524 . . . . 3.8999999999999999 109.723 178.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.08 -45.14 86.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.558 -0.746 . . . . 3.4500000000000002 110.124 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.665 ' HG3' ' NE2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -59.78 -46.44 89.18 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.96 -0.564 . . . . 3.25 109.816 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -54.83 -46.18 74.55 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 3.9900000000000002 109.837 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.8 -44.09 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 3.6299999999999999 109.781 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -46.07 89.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 3.6499999999999999 110.348 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -42.75 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.156 0.503 . . . . 2.8599999999999999 110.062 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.56 -27.9 63.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.483 -0.78 . . . . 3.1200000000000001 110.685 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.592 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 59.3 m -74.43 -40.43 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 3.25 110.915 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -75.39 88.55 2.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 4.3700000000000001 110.722 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD1' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -105.81 153.77 21.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 4.9000000000000004 110.847 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 92.2 m-85 29.51 -99.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.943 -0.571 . . . . 9.8000000000000007 111.565 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.14 -74.55 0.22 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.006 -0.616 . . . . 5.1699999999999999 112.064 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.44 148.56 44.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.828 0.347 . . . . 7.8799999999999999 110.728 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.62 31.98 0.74 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.9 -0.591 . . . . 5.96 110.921 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.38 -18.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 5.7300000000000004 110.058 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.8 t -150.46 27.91 0.73 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.808 -0.633 . . . . 4.3499999999999996 110.524 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.84 -52.85 2.52 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 116.074 -0.512 . . . . 4.2800000000000002 113.621 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.9 t -48.18 -60.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.832 0.316 . . . . 4.8200000000000003 111.812 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -62.57 -28.43 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 4.7400000000000002 110.625 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -38.17 81.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 4.1299999999999999 110.147 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.76 -53.55 39.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.719 -0.673 . . . . 4.5999999999999996 109.5 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -50.36 -43.82 54.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.79 -0.641 . . . . 6.1799999999999997 110.733 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -63.34 -50.84 68.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 4.71 110.437 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -42.7 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.759 -0.46 . . . . 4.54 109.759 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -48.12 -55.22 10.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.325 -0.398 . . . . 4.0 110.133 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -43.78 68.03 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.173 -0.467 . . . . 3.6099999999999999 110.072 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -33.44 75.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.972 -0.558 . . . . 4.8099999999999996 110.23 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.5 -52.79 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.749 -0.66 . . . . 3.3700000000000001 109.849 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.52 -47.06 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 3.1699999999999999 110.227 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.58 54.72 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.181 -0.463 . . . . 1.79 110.557 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -55.59 -49.07 73.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 2.6000000000000001 110.052 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -45.33 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.443 -0.799 . . . . 3.1200000000000001 110.955 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.27 -42.43 83.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 1.78 111.436 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -26.96 68.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.95 0.352 . . . . 1.8100000000000001 111.95 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.665 ' NE2' ' HG3' ' A' ' 26' ' ' LYS . 1.7 m80 -71.48 -37.55 71.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.586 -0.279 . . . . 3.2599999999999998 111.331 -179.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -49.58 -62.52 2.42 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 120.9 -0.32 . . . . 3.0099999999999998 110.457 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 72.7 Cg_exo -49.8 -46.05 29.26 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.67 2.246 . . . . 1.97 112.599 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.58 72.91 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.115 -0.493 . . . . 1.72 111.318 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.553 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 4.8 mt -80.79 -32.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 1.8500000000000001 111.473 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.788 ' O ' ' OD2' ' A' ' 68' ' ' ASP . 2.9 mm100 -53.36 -51.87 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 4.1100000000000003 109.605 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.91 -52.17 22.21 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.518 -0.848 . . . . 1.54 111.375 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.18 -55.9 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 2.0699999999999998 110.488 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.3 -51.85 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 2.7999999999999998 111.225 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.788 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 10.7 m-20 -56.61 -46.44 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 2.2400000000000002 110.934 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 m -62.28 -49.4 75.82 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.81 0.338 . . . . 1.54 110.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.41 -42.75 75.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.72 -0.752 . . . . 1.05 112.0 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -60.52 -42.38 96.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.843 -0.429 . . . . 3.6699999999999999 109.843 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -48.81 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.794 -0.639 . . . . 4.1299999999999999 110.932 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 12' ' ' PHE . 4.9 mt -58.48 -41.33 85.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 2.1000000000000001 110.842 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 m -65.6 -45.89 81.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.059 -0.518 . . . . 2.0899999999999999 111.73 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -47.68 -43.36 26.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 2.3399999999999999 111.856 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -88.7 -42.51 11.93 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.913 0.338 . . . . 2.8900000000000001 111.913 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -75.3 133.3 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.103 0.478 . . . . 5.0999999999999996 111.859 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -91.27 -74.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.793 -0.64 . . . . 5.3099999999999996 109.548 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.46 102.61 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.772 -0.649 . . . . 4.9100000000000001 110.273 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.84 -27.51 3.33 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.97 -0.633 . . . . 3.2000000000000002 112.004 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -46.17 -46.96 17.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.897 0.379 . . . . 4.7199999999999998 110.826 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.32 -53.16 59.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 3.23 110.767 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -53.08 -46.72 68.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.35 -0.386 . . . . 2.9399999999999999 110.186 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.9 mm -55.72 -53.56 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 3.0 110.676 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -41.65 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 3.7999999999999998 111.035 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -62.42 -47.04 85.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 3.8799999999999999 110.577 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -61.19 -48.98 79.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.929 0.395 . . . . 5.25 110.211 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.7 tp -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 2.5299999999999998 110.097 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.4 -33.44 73.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 1.5600000000000001 110.934 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -69.77 -38.82 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 3.3700000000000001 110.068 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.553 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 11.3 t80 -59.43 -49.84 76.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.737 -0.468 . . . . 1.71 109.737 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.5 t -49.28 -48.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 1.8799999999999999 110.342 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.21 -56.17 18.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.659 -0.497 . . . . 1.71 109.659 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -50.14 -56.39 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 3.2000000000000002 110.496 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -51.82 -46.79 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 3.6600000000000001 110.368 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -50.29 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 3.3199999999999998 109.656 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 1.314 ' OE1' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -51.13 -49.73 60.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.835 -0.62 . . . . 3.0299999999999998 110.253 179.263 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 9.5 tt -55.84 -49.36 73.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 2.8900000000000001 110.217 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -51.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 4.4800000000000004 110.414 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -54.39 -54.16 44.29 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.822 0.344 . . . . 4.0999999999999996 110.567 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 1.314 HD13 ' OE1' ' A' ' 97' ' ' GLU . 1.3 mt -52.77 -44.01 66.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.211 -0.45 . . . . 3.0800000000000001 110.826 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.01 -49.78 72.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 2.2400000000000002 110.47 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 2.5600000000000001 110.376 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.47 -51.12 63.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.917 -0.583 . . . . 2.7599999999999998 110.334 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.17 -47.91 17.6 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.012 -0.54 . . . . 5.0999999999999996 110.253 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -53.69 -49.68 56.93 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.772 -0.728 . . . . 3.27 111.62 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.913 0.387 . . . . 4.4100000000000001 110.182 179.142 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.614 0.245 . . . . 4.8200000000000003 111.311 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -65.43 -47.84 74.81 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.749 0.309 . . . . 4.4699999999999998 110.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.34 -39.94 67.58 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.24 -0.584 . . . . 1.29 109.718 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.78 -52.94 16.88 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.362 -0.607 . . . . 3.2799999999999998 109.362 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.86 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 5.3 ttp85 -59.53 -53.0 63.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.761 -0.654 . . . . 5.04 109.413 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 1.221 ' CA ' ' OD2' ' A' ' 18' ' ' ASP . 5.3 m-20 -47.27 -44.26 22.91 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.001 0.429 . . . . 2.1000000000000001 110.463 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.645 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.43 -59.55 4.43 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.211 -0.45 . . . . 2.7200000000000002 109.86 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.03 -45.66 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.568 -0.531 . . . . 2.46 109.568 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.221 ' OD2' ' CA ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -46.53 -42.36 15.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.914 -0.584 . . . . 2.4900000000000002 110.149 179.089 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.645 ' OE1' ' CA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -52.79 -68.81 0.14 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.448 0.642 . . . . 3.0699999999999998 110.728 179.477 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.72 -37.0 49.11 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.22 -0.9 . . . . 2.5 109.573 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.9 -34.65 77.88 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.577 -0.738 . . . . 2.1200000000000001 109.724 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.631 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 24.1 t-105 -54.71 -59.65 4.42 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.106 -0.702 . . . . 2.8799999999999999 109.106 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.8 mm -39.11 -55.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.303 -0.408 . . . . 2.46 110.76 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -56.7 -51.22 69.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.04 0.448 . . . . 3.8999999999999999 110.999 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -40.85 79.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 3.4500000000000002 111.842 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -46.95 65.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.844 -0.428 . . . . 3.25 109.844 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.092 0.472 . . . . 3.9900000000000002 109.887 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -45.62 88.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 3.6299999999999999 109.856 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.06 -48.09 64.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.575 . . . . 3.6499999999999999 110.255 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 t -58.0 -48.68 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.662 . . . . 2.8599999999999999 110.849 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 m -63.07 -26.0 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 3.1200000000000001 111.646 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 m -76.63 -54.02 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 3.25 110.788 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -110.67 94.52 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 4.3700000000000001 110.664 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.817 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 2.6 p30 -159.22 95.61 1.26 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.302 -0.408 . . . . 4.9000000000000004 110.989 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 51.78 72.78 0.36 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.02 -0.537 . . . . 9.8000000000000007 111.358 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.24 -61.71 6.83 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.881 -0.676 . . . . 5.1699999999999999 112.746 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' THR . 31.7 ttp180 -135.28 135.47 40.88 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.399 0.142 . . . . 7.8799999999999999 110.693 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 40' ' ' THR . 0.4 OUTLIER -39.87 -49.52 2.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.128 -0.487 . . . . 5.96 112.067 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.25 10.27 0.09 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.509 -0.314 . . . . 5.7300000000000004 111.841 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -134.28 17.0 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.72 -0.218 . . . . 4.3499999999999996 111.042 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.02 -61.2 6.35 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.798 -0.715 . . . . 4.2800000000000002 113.38 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -57.34 -54.25 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 111.84 0.311 . . . . 4.8200000000000003 111.84 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.91 -37.31 71.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.991 0.424 . . . . 4.7400000000000002 110.533 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -42.52 89.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 4.1299999999999999 110.056 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.77 -53.06 62.09 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.317 -0.623 . . . . 4.5999999999999996 109.317 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -40.05 71.57 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.066 -0.716 . . . . 6.1799999999999997 109.066 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -46.6 82.88 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.428 -0.806 . . . . 4.71 109.694 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -49.93 74.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.742 -0.663 . . . . 4.54 109.976 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -51.61 -50.06 60.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.659 -0.497 . . . . 4.0 109.659 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -40.43 74.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.972 -0.558 . . . . 3.6099999999999999 109.745 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -66.54 -32.86 74.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 4.8099999999999996 109.806 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.92 -51.84 67.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.889 -0.596 . . . . 3.3700000000000001 110.282 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.658 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.7 mm-40 -53.0 -51.06 62.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 3.1699999999999999 109.939 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.5 89.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.968 -0.56 . . . . 1.79 110.045 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.786 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.93 -53.64 46.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.624 -0.717 . . . . 2.6000000000000001 110.273 179.043 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -35.58 74.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 3.1200000000000001 111.432 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.99 -42.09 99.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 1.78 110.463 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.45 -23.43 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 1.8100000000000001 111.546 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.637 ' CD2' ' NE1' ' A' ' 95' ' ' TRP . 17.0 m80 -70.63 -42.94 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 3.2599999999999998 111.35 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 1.105 ' OE1' ' NE2' ' A' ' 64' ' ' GLN . 2.1 tp10 -56.73 -60.39 9.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 3.0099999999999998 111.564 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 35.8 Cg_exo -59.41 -48.85 12.11 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.709 1.606 . . . . 1.97 112.608 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.41 -55.31 30.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.108 0.48 . . . . 1.72 111.752 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -58.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.867 -0.606 . . . . 1.8500000000000001 111.558 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 1.105 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 2.8 mp0 -49.16 -46.78 45.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.5 -0.318 . . . . 4.1100000000000003 110.493 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.4 -54.02 7.7 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.794 -0.717 . . . . 1.54 112.052 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.605 HG23 ' CD ' ' A' ' 19' ' ' GLU . 63.7 t -58.06 -51.62 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.57 -0.452 . . . . 2.0699999999999998 110.58 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.87 -51.89 47.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 2.7999999999999998 111.076 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.689 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 9.6 m-20 -54.12 -50.03 67.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 2.2400000000000002 110.251 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -57.31 -51.73 68.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.54 110.496 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.89 -42.54 47.05 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.495 -0.86 . . . . 1.05 111.439 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.48 99.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.447 -0.575 . . . . 3.6699999999999999 109.447 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.884 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 26.9 mmtp -63.97 -33.26 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.613 -0.721 . . . . 4.1299999999999999 110.681 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mp -61.33 -43.15 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 2.1000000000000001 109.918 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 -32.36 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.751 -0.659 . . . . 2.0899999999999999 110.622 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.12 -38.12 81.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.86 -0.609 . . . . 2.3399999999999999 111.589 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.884 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -94.42 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.427 -0.351 . . . . 2.8900000000000001 111.357 -179.384 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 173.11 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.946 -0.57 . . . . 5.0999999999999996 111.099 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -123.03 2.16 9.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 5.3099999999999996 111.252 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.7 tp -51.31 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 120.896 0.379 . . . . 4.9100000000000001 111.319 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 30.34 57.03 0.23 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.54 -0.755 . . . . 3.2000000000000002 113.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -48.16 29.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.686 0.243 . . . . 4.7199999999999998 111.451 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.53 -43.68 89.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 3.23 110.723 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 86' ' ' GLN . 1.6 tm-20 -57.06 -50.48 72.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.959 0.409 . . . . 2.9399999999999999 110.035 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mt -58.19 -45.94 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 3.0 109.84 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -53.88 -50.23 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 3.7999999999999998 110.99 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.552 ' HG3' ' N ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -59.86 -42.89 94.67 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.683 0.278 . . . . 3.8799999999999999 110.484 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.552 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -59.67 -50.22 74.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 5.25 110.74 179.522 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -40.54 82.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 2.5299999999999998 110.742 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -30.34 66.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 1.5600000000000001 111.39 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.508 HE21 ' CE1' ' A' ' 94' ' ' HIS . 32.9 tp60 -66.75 -46.2 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 3.3700000000000001 110.389 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 66.4 t80 -53.79 -48.81 69.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.156 0.503 . . . . 1.71 109.895 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 t -56.54 -49.82 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 1.8799999999999999 110.212 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -53.12 33.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.843 0.354 . . . . 1.71 110.256 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.508 ' CE1' HE21 ' A' ' 90' ' ' GLN . 26.4 m-70 -53.41 -56.84 13.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 3.2000000000000002 110.045 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 27.1 t90 -51.79 -44.09 63.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.955 -0.566 . . . . 3.6600000000000001 110.574 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -49.66 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 3.3199999999999998 110.462 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.76 -53.23 51.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 3.0299999999999998 110.488 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.8 mt -54.22 -46.26 72.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.982 -0.553 . . . . 2.8900000000000001 110.352 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -56.56 -49.3 75.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.422 -0.584 . . . . 4.4800000000000004 109.422 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.54 19.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.497 -0.774 . . . . 4.0999999999999996 110.134 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.6 tp -51.89 -52.99 45.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 3.0800000000000001 110.182 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.74 -46.31 50.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.783 -0.644 . . . . 2.2400000000000002 111.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.73 -50.99 64.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 2.5600000000000001 110.754 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.28 85.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.236 -0.438 . . . . 2.7599999999999998 110.426 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -55.59 -44.1 76.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.886 -0.597 . . . . 5.0999999999999996 110.12 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.32 27.27 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 115.768 -0.651 . . . . 3.27 112.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 . . . . . 0 C--N 1.332 -0.179 0 N-CA-C 110.163 -0.31 . . . . 4.4100000000000001 110.163 179.512 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.304 . . . . 4.8200000000000003 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.02 -44.8 79.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 4.4699999999999998 110.493 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.503 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 43.6 t80 -53.25 -49.81 66.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.355 -0.384 . . . . 1.29 110.867 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.947 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 18.3 m-85 -49.44 -47.42 48.19 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.669 -0.413 . . . . 3.2799999999999998 109.918 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -59.86 -52.99 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 5.04 109.804 178.687 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 1.125 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 5.4 m-20 -50.54 -45.6 57.0 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.285 -0.416 . . . . 2.1000000000000001 110.618 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.516 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.56 -54.9 41.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.34 -0.391 . . . . 2.7200000000000002 110.024 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.947 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 1.3 m-20 -53.21 -46.12 68.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.698 -0.482 . . . . 2.46 109.698 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.125 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -52.56 -53.32 47.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.551 -0.295 . . . . 2.4900000000000002 110.497 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.586 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 12.4 pt-20 -60.31 -56.2 24.34 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.888 -0.412 . . . . 3.0699999999999998 109.888 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.586 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 4.3 mm-40 -47.12 -40.26 15.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.431 -0.581 . . . . 2.5 109.431 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -38.23 89.55 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 2.1200000000000001 110.05 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 66.2 t90 -54.89 -45.98 74.72 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.553 -0.536 . . . . 2.8799999999999999 109.553 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mm -50.25 -56.92 2.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.598 0.713 . . . . 2.46 109.116 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -41.45 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.031 -0.986 . . . . 3.8999999999999999 110.991 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -63.15 -43.35 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 3.4500000000000002 110.823 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -61.59 -50.07 74.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.725 -0.472 . . . . 3.25 109.725 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -54.69 -46.42 74.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.694 -0.484 . . . . 3.9900000000000002 109.694 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.21 -35.34 78.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 3.6299999999999999 110.254 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.75 -54.2 49.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 3.6499999999999999 109.812 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 t -57.71 -37.9 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.239 0.543 . . . . 2.8599999999999999 109.733 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -66.41 -31.44 72.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.183 -0.917 . . . . 3.1200000000000001 110.477 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 t -81.92 -30.0 32.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.74 -0.664 . . . . 3.25 111.439 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -62.76 -56.51 16.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 4.3700000000000001 111.669 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 39.23 -87.09 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.486 0.491 . . . . 4.9000000000000004 111.743 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' GLU . 36.4 p90 -160.96 -14.88 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.547 -0.297 . . . . 9.8000000000000007 111.013 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.48 -138.28 33.03 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.185 -0.531 . . . . 5.1699999999999999 113.151 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.91 115.32 4.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.737 0.303 . . . . 7.8799999999999999 111.32 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.38 -52.82 63.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.207 -0.451 . . . . 5.96 110.025 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.9 -68.19 0.22 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.626 . . . . 5.7300000000000004 110.941 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.5 t -97.34 55.44 1.27 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.177 0.513 . . . . 4.3499999999999996 110.637 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.95 88.56 Favored Glycine 0 C--N 1.331 0.255 0 CA-C-N 115.827 -0.624 . . . . 4.2800000000000002 113.409 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.443 ' CG1' ' H ' ' A' ' 43' ' ' GLN . 7.0 p -59.35 -60.37 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.848 0.314 . . . . 4.8200000000000003 111.848 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.443 ' H ' ' CG1' ' A' ' 42' ' ' VAL . 1.3 tm0? -58.27 -36.52 73.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.096 0.474 . . . . 4.7400000000000002 110.069 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.15 -50.98 71.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 4.1299999999999999 110.569 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.92 -49.3 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.031 -0.359 . . . . 4.5999999999999996 110.031 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -42.4 62.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 6.1799999999999997 110.608 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -46.68 89.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.351 -0.386 . . . . 4.71 110.221 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -60.79 -45.44 94.36 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.774 -0.454 . . . . 4.54 109.774 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -50.2 -50.17 50.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.759 -0.655 . . . . 4.0 110.71 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.99 -49.4 50.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.925 0.393 . . . . 3.6099999999999999 110.658 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -39.6 82.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 4.8099999999999996 110.084 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.03 -52.38 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 3.3700000000000001 110.205 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.678 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.4 mm-40 -49.17 -44.52 42.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 3.1699999999999999 110.968 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.23 23.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.06 0.457 . . . . 1.79 110.235 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.8 -39.64 65.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.772 -0.649 . . . . 2.6000000000000001 110.58 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 2.1 tp -62.19 -50.27 72.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 3.1200000000000001 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -63.13 -27.77 69.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 1.78 111.92 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.8 53.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.737 0.643 . . . . 1.8100000000000001 112.737 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.632 ' CD2' ' HE1' ' A' ' 95' ' ' TRP . 28.0 p-80 -75.69 -20.7 58.21 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.554 0.576 . . . . 3.2599999999999998 112.554 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.59 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -60.69 -62.17 6.5 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 108.364 -0.976 . . . . 3.0099999999999998 108.364 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.59 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 53.1 Cg_exo -58.59 -39.97 78.04 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.578 2.185 . . . . 1.97 111.537 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.54 94.13 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.737 -0.665 . . . . 1.72 111.365 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.461 HG22 ' CZ3' ' A' ' 95' ' ' TRP . 1.2 mp -60.48 -54.51 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.8500000000000001 109.745 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.407 ' N ' HG23 ' A' ' 63' ' ' ILE . 27.2 tt0 -47.8 -52.21 19.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.888 -0.596 . . . . 4.1100000000000003 110.627 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.13 -49.21 37.64 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.675 -0.774 . . . . 1.54 112.043 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.9 -50.65 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 2.0699999999999998 110.468 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.71 -51.19 66.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 2.7999999999999998 110.622 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.19 -51.15 59.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 2.2400000000000002 110.914 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.503 ' HB ' ' CD1' ' A' ' 12' ' ' PHE . 2.1 m -61.26 -49.4 77.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.896 0.379 . . . . 1.54 110.301 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.4 -39.86 52.84 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.627 -0.797 . . . . 1.05 111.522 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -44.18 51.34 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.054 0.454 . . . . 3.6699999999999999 110.013 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -53.89 50.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.67 -0.695 . . . . 4.1299999999999999 109.941 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.28 -42.89 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 2.1000000000000001 110.401 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -53.26 53.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 2.0899999999999999 110.666 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -45.12 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.3399999999999999 111.385 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.67 43.98 1.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.003 0.371 . . . . 2.8900000000000001 112.003 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -45.33 134.12 6.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.509 0.195 . . . . 5.0999999999999996 110.632 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.6 105.76 1.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 5.3099999999999996 111.132 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 80' ' ' GLY . 70.8 mt 34.67 -109.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.028 -0.533 . . . . 4.9100000000000001 111.786 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.448 ' N ' ' CG2' ' A' ' 79' ' ' ILE . . . -31.08 -37.2 0.02 OUTLIER Glycine 0 C--N 1.337 0.604 0 N-CA-C 114.092 0.397 . . . . 3.2000000000000002 114.092 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -46.9 -36.13 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.93 0.345 . . . . 4.7199999999999998 111.93 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -48.1 82.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.693 -0.231 . . . . 3.23 111.045 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.1 -49.93 72.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.481 . . . . 2.9399999999999999 109.945 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -55.58 -51.69 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 3.0 110.284 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -45.22 72.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 3.7999999999999998 110.96 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 3.8799999999999999 110.229 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.409 ' NH1' ' SD ' ' A' ' 16' ' ' MET . 28.0 ttp85 -59.6 -50.8 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 5.25 110.173 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -45.0 78.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.992 0.425 . . . . 2.5299999999999998 110.091 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.13 -38.16 76.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.039 -0.528 . . . . 1.5600000000000001 110.055 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.31 -44.08 92.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 3.3700000000000001 109.546 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 9.0 t80 -55.53 -49.48 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 1.71 110.617 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.632 HG11 ' N ' ' A' ' 93' ' ' ASP . 8.6 p -56.25 -46.87 81.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 120.741 -0.384 . . . . 1.8799999999999999 110.629 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.915 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.26 -52.98 49.47 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.454 -0.573 . . . . 1.71 109.454 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.915 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 7.3 m-70 -52.25 -56.73 12.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.787 -0.642 . . . . 3.2000000000000002 109.965 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.632 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 13.1 t90 -45.86 -43.07 13.24 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.086 -0.506 . . . . 3.6600000000000001 111.356 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 7.3 mttt -53.96 -53.21 55.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.873 -0.331 . . . . 3.3199999999999998 110.656 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.08 -51.99 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.034 0.445 . . . . 3.0299999999999998 110.639 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.5 mt -58.31 -36.5 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 2.8900000000000001 110.802 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -61.43 -50.48 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.846 -0.428 . . . . 4.4800000000000004 109.846 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -57.51 -50.26 73.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.042 -0.526 . . . . 4.0999999999999996 109.847 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.84 -48.59 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 3.0800000000000001 110.435 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.3 74.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 2.2400000000000002 110.891 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.33 72.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 2.5600000000000001 110.397 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.33 84.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.55 . . . . 2.7599999999999998 110.57 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -57.83 -45.82 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 5.0999999999999996 110.359 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.97 -29.41 69.11 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.667 -0.778 . . . . 3.27 112.661 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.644 0.259 . . . . 4.4100000000000001 111.581 -179.364 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.433 ' CE1' ' HG2' ' A' ' 11' ' ' GLN . 12.3 p80 . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.488 0.185 . . . . 4.8200000000000003 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 1.097 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 15.8 mm100 -66.34 -39.78 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.958 -0.386 . . . . 4.4699999999999998 109.958 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 34.9 t80 -53.28 -50.63 64.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.201 -0.454 . . . . 1.29 110.037 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.47 -52.21 55.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.429 -0.35 . . . . 3.2799999999999998 110.319 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -53.34 39.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 5.04 110.019 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 1.097 ' OD1' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -51.79 -53.57 38.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.002 0.43 . . . . 2.1000000000000001 109.946 178.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -52.19 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 2.7200000000000002 110.632 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -53.93 -51.84 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 2.46 110.467 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.505 -0.316 . . . . 2.4900000000000002 110.755 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -65.43 -56.62 11.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.332 . . . . 3.0699999999999998 110.181 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -45.97 -42.68 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.324 -0.398 . . . . 2.5 110.25 178.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -40.98 67.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.714 -0.476 . . . . 2.1200000000000001 109.714 178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.603 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 26.1 t90 -56.1 -40.2 73.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.659 -0.7 . . . . 2.8799999999999999 111.754 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 24' ' ' LYS . 7.3 tp -64.56 -52.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.157 -0.617 . . . . 2.46 110.414 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -56.57 -43.03 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.977 0.418 . . . . 3.8999999999999999 110.455 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -37.27 73.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.798 -0.637 . . . . 3.4500000000000002 111.075 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 11.6 tptp -68.21 -41.83 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 3.25 110.16 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -46.44 69.68 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.189 0.518 . . . . 3.9900000000000002 109.908 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.19 -39.64 90.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.026 -0.534 . . . . 3.6299999999999999 110.207 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.63 -45.28 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 3.6499999999999999 110.412 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.722 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 59.6 t -52.54 -46.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.007 0.432 . . . . 2.8599999999999999 110.392 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.973 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 1.8 m -56.39 -34.35 66.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 3.1200000000000001 111.01 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -77.25 -44.18 30.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 3.25 111.033 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -61.93 -36.93 82.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 4.3700000000000001 110.943 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.973 ' OD1' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -70.58 -159.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 4.9000000000000004 111.536 -179.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -42.23 94.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.832 -0.622 . . . . 9.8000000000000007 112.17 -179.139 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.96 2.16 17.16 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.775 -0.648 . . . . 5.1699999999999999 112.044 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.76 90.96 1.89 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.576 0.227 . . . . 7.8799999999999999 110.493 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -35.9 -48.74 0.59 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.178 -0.465 . . . . 5.96 112.211 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tt -38.68 -32.13 0.07 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.704 0.631 . . . . 5.7300000000000004 112.704 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 t -139.29 43.21 2.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.739 0.304 . . . . 4.3499999999999996 111.041 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -49.69 -46.73 38.73 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.819 -0.705 . . . . 4.2800000000000002 112.946 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG21 ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -57.24 -59.96 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 111.962 0.356 . . . . 4.8200000000000003 111.962 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' H ' HG21 ' A' ' 42' ' ' VAL . 3.7 tp-100 -55.39 -39.63 70.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 4.7400000000000002 110.254 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' C ' HD21 ' A' ' 44' ' ' ASN . 0.1 OUTLIER -58.39 -50.95 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 4.1299999999999999 109.653 179.165 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -54.59 -55.88 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.382 -0.826 . . . . 4.5999999999999996 110.653 179.383 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.82 -33.45 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.876 -0.602 . . . . 6.1799999999999997 111.26 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HE3' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -71.54 -33.01 68.78 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.468 -0.567 . . . . 4.71 109.468 179.103 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.65 91.71 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.236 -0.653 . . . . 4.54 109.236 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.41 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -46.83 -58.75 3.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.946 0.403 . . . . 4.0 110.176 179.094 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -56.58 -45.95 81.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.139 -0.482 . . . . 3.6099999999999999 110.75 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 -63.74 -27.04 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 4.8099999999999996 110.321 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -54.46 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 3.3700000000000001 110.757 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 54' ' ' ALA . 2.1 pt-20 -53.88 -43.95 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 3.1699999999999999 110.571 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' ' 53' ' ' GLU . . . -62.25 -48.69 78.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.109 0.481 . . . . 1.79 109.871 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.5 mt-10 -54.75 -53.52 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.628 -0.715 . . . . 2.6000000000000001 110.889 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.53 -40.06 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.4 -0.363 . . . . 3.1200000000000001 111.563 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -57.85 -43.38 85.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.78 111.663 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.01 -26.41 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.89 0.7 . . . . 1.8100000000000001 112.89 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.603 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 2.3 m80 -77.18 -33.92 56.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 3.2599999999999998 111.551 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -56.77 -60.8 8.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 3.0099999999999998 110.841 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.4 Cg_exo -55.4 -40.19 86.93 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.394 2.063 . . . . 1.97 112.414 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.43 -49.43 74.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.287 -0.415 . . . . 1.72 111.249 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.522 HG12 ' CE1' ' A' ' 91' ' ' PHE . 3.0 mt -70.65 -45.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 1.8500000000000001 110.796 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -46.57 70.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 4.1100000000000003 110.522 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.58 -49.96 25.96 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.736 -0.745 . . . . 1.54 111.717 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.507 HG11 ' N ' ' A' ' 67' ' ' LEU . 1.2 t -57.86 -50.67 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.395 . . . . 2.0699999999999998 110.321 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 ' N ' HG11 ' A' ' 66' ' ' VAL . 20.7 tp -52.83 -53.16 52.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 2.7999999999999998 110.706 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.6 -47.09 73.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.2400000000000002 110.842 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -60.48 -48.84 80.02 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.161 -0.311 . . . . 1.54 110.161 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.05 -41.66 53.28 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.675 -0.774 . . . . 1.05 111.275 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 1.106 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -57.97 -47.32 83.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.2 -0.667 . . . . 3.6699999999999999 109.2 178.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HA ' ' OD1' ' A' ' 75' ' ' ASP . 1.7 tmtm? -57.4 -46.29 83.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.721 -0.672 . . . . 4.1299999999999999 109.764 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.472 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 3.3 mp -48.67 -54.96 12.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 2.1000000000000001 109.555 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -54.23 -42.32 69.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 2.0899999999999999 109.988 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 1.106 ' OD1' ' O ' ' A' ' 71' ' ' LYS . 3.6 m-20 -63.3 -30.55 71.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.584 -0.734 . . . . 2.3399999999999999 112.242 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.37 -5.01 23.38 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.587 0.958 . . . . 2.8900000000000001 113.587 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 73' ' ' LEU . 8.4 p30 -150.18 14.32 0.79 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.347 -0.541 . . . . 5.0999999999999996 112.365 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.1 p 32.0 -99.41 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 5.3099999999999996 112.124 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.16 127.48 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.333 -0.394 . . . . 4.9100000000000001 111.361 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.85 -36.77 2.07 Favored Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.111 -0.796 . . . . 3.2000000000000002 111.111 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -33.32 6.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.311 -0.444 . . . . 4.7199999999999998 111.299 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -43.55 -53.59 5.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.664 0.269 . . . . 3.23 111.36 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.51 -50.84 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.106 0.479 . . . . 2.9399999999999999 109.984 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.57 -45.89 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.859 -0.609 . . . . 3.0 110.823 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.8 -50.08 66.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.423 -0.353 . . . . 3.7999999999999998 110.811 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.46 -47.3 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 3.8799999999999999 110.459 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -50.82 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 5.25 110.688 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.74 -35.83 69.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 2.5299999999999998 110.354 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.464 ' O ' HG11 ' A' ' 92' ' ' VAL . . . -61.43 -37.92 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 1.5600000000000001 110.455 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.624 HE21 ' CE1' ' A' ' 94' ' ' HIS . 45.4 tp60 -66.97 -40.93 87.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.27 0.557 . . . . 3.3700000000000001 109.83 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.522 ' CE1' HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -59.99 -53.57 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 1.71 109.986 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.464 HG11 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -53.88 -44.46 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.774 -0.37 . . . . 1.8799999999999999 110.216 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.6 OUTLIER -51.95 -58.54 6.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.77 0.319 . . . . 1.71 110.942 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.624 ' CE1' HE21 ' A' ' 90' ' ' GLN . 5.3 m-70 -57.09 -48.48 78.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.912 0.387 . . . . 3.2000000000000002 111.102 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -62.33 -35.25 78.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 3.6600000000000001 110.608 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -47.87 82.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 3.3199999999999998 109.937 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.27 -48.11 81.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.038 0.447 . . . . 3.0299999999999998 109.856 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.27 -46.92 82.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.897 -0.592 . . . . 2.8900000000000001 110.245 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -55.59 -50.58 69.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 4.4800000000000004 109.849 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -51.41 -54.85 22.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 4.0999999999999996 110.108 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -50.12 60.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 3.0800000000000001 110.262 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.56 74.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.956 -0.566 . . . . 2.2400000000000002 110.911 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 2.5600000000000001 110.706 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.25 85.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.18 0.514 . . . . 2.7599999999999998 109.757 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -49.47 -55.68 12.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.36 -0.837 . . . . 5.0999999999999996 110.27 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -36.93 93.23 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.889 -0.672 . . . . 3.27 112.247 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.523 0.201 . . . . 4.4100000000000001 111.321 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.351 -0.611 . . . . 4.8200000000000003 109.351 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -68.88 -46.0 69.54 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.601 -0.727 . . . . 4.4699999999999998 109.849 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -47.66 -50.33 25.0 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.342 -0.543 . . . . 1.29 109.666 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -50.71 -50.82 54.35 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.556 . . . . 3.2799999999999998 109.5 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.579 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.9 -56.39 21.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.943 -0.572 . . . . 5.04 109.832 178.565 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 1.274 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 1.1 m-20 -49.95 -43.66 50.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.278 -0.419 . . . . 2.1000000000000001 110.395 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -57.98 -54.25 49.02 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.298 0.571 . . . . 2.7200000000000002 110.192 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -55.94 -41.47 74.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.187 -0.672 . . . . 2.46 109.187 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.274 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -57.6 -46.74 83.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.988 -0.551 . . . . 2.4900000000000002 110.883 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 11.7 pt-20 -64.16 -55.65 20.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.382 -0.599 . . . . 3.0699999999999998 109.382 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.674 ' OE1' HD13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -50.42 -39.22 46.75 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.299 -0.63 . . . . 2.5 109.299 178.237 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -65.54 -41.09 93.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.422 -0.808 . . . . 2.1200000000000001 109.767 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.844 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 49.5 t90 -53.07 -47.07 68.78 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.797 -0.445 . . . . 2.8799999999999999 109.797 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.674 HD13 ' OE1' ' A' ' 20' ' ' GLU . 48.0 mt -52.68 -59.9 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.396 0.617 . . . . 2.46 109.895 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -44.44 57.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.341 -0.845 . . . . 3.8999999999999999 111.161 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -47.95 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 3.4500000000000002 110.693 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.0 89.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 3.25 110.255 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -49.06 62.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.82 -0.437 . . . . 3.9900000000000002 109.82 179.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -32.02 73.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.075 0.464 . . . . 3.6299999999999999 109.964 179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.39 -47.45 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.968 -0.56 . . . . 3.6499999999999999 110.11 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -36.97 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.988 0.423 . . . . 2.8599999999999999 109.921 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 m -55.96 -37.69 69.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.575 -0.739 . . . . 3.1200000000000001 110.28 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -80.39 -53.61 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 3.25 110.504 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.8 90.42 4.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 4.3700000000000001 110.381 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -124.83 36.61 4.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.02 -0.537 . . . . 4.9000000000000004 110.507 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 179.06 -63.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 9.8000000000000007 110.047 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.2 -143.09 11.4 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.864 -0.684 . . . . 5.1699999999999999 112.578 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.52 164.19 12.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.309 . . . . 7.8799999999999999 110.953 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.53 -26.68 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 5.96 109.89 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mp -75.7 -49.0 19.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.464 -0.789 . . . . 5.7300000000000004 110.564 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 t -138.62 64.24 1.5 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.195 -0.457 . . . . 4.3499999999999996 110.831 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.59 -47.42 90.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.798 -0.715 . . . . 4.2800000000000002 112.673 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.1 m -53.9 -53.97 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.911 0.337 . . . . 4.8200000000000003 111.911 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 -64.23 -35.29 80.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.732 0.301 . . . . 4.7400000000000002 110.451 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.1 -42.4 98.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 4.1299999999999999 110.094 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.18 -58.62 7.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.993 -0.548 . . . . 4.5999999999999996 110.769 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -36.79 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.369 -0.378 . . . . 6.1799999999999997 110.597 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.64 -42.6 98.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 4.71 110.123 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -62.02 -45.91 91.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.814 -0.63 . . . . 4.54 110.312 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.8 -50.46 73.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 4.0 110.438 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -44.22 81.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 3.6099999999999999 110.926 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -47.86 83.78 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.05 0.452 . . . . 4.8099999999999996 110.012 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.736 -0.666 . . . . 3.3700000000000001 109.5 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.47 -52.91 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.808 -0.633 . . . . 3.1699999999999999 110.732 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.13 79.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.079 0.466 . . . . 1.79 110.381 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.81 -52.57 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 2.6000000000000001 110.73 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.7 -44.01 66.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 3.1200000000000001 111.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.31 75.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.78 111.445 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.66 -21.42 48.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.036 -0.529 . . . . 1.8100000000000001 111.644 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.844 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -67.73 -31.18 70.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.011 0.375 . . . . 3.2599999999999998 112.011 -179.173 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.567 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 1.9 mp0 -60.15 -63.19 4.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.155 -0.618 . . . . 3.0099999999999998 109.65 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.567 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -62.44 -43.78 21.06 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.145 1.897 . . . . 1.97 112.104 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -55.78 27.36 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.611 -0.722 . . . . 1.72 112.375 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.41 -44.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 121.029 -0.268 . . . . 1.8500000000000001 111.324 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -49.88 14.7 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.716 -0.476 . . . . 4.1100000000000003 109.716 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.2 -48.73 39.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 1.54 111.401 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.515 HG11 ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.43 -47.14 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.104 0.478 . . . . 2.0699999999999998 109.952 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.515 ' N ' HG11 ' A' ' 66' ' ' VAL . 5.2 mp -55.86 -52.89 62.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.758 -0.655 . . . . 2.7999999999999998 110.454 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -53.34 -49.05 67.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 2.2400000000000002 110.444 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.3 m -56.03 -54.17 48.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.341 -0.39 . . . . 1.54 110.487 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.48 -42.39 75.44 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 120.431 -0.89 . . . . 1.05 111.777 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -59.23 -37.59 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.846 0.355 . . . . 3.6699999999999999 110.299 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -57.92 9.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.042 -0.526 . . . . 4.1299999999999999 110.63 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -38.58 62.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 2.1000000000000001 110.486 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -59.6 -51.77 68.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 2.0899999999999999 111.065 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.5 -44.41 62.52 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.794 0.33 . . . . 2.3399999999999999 111.222 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.09 14.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 2.8900000000000001 111.703 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 43.09 41.44 2.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.82 0.343 . . . . 5.0999999999999996 111.429 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -73.53 139.89 45.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.384 . . . . 5.3099999999999996 110.682 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.5 tt -57.67 116.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 4.9100000000000001 111.022 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.07 -23.61 8.59 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.07 -0.586 . . . . 3.2000000000000002 112.064 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -45.86 -40.68 10.26 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 111.618 0.229 . . . . 4.7199999999999998 111.618 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -57.19 -57.59 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.62 0.248 . . . . 3.23 110.819 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.464 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.2 tp10 -53.67 -45.52 70.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 2.9399999999999999 110.004 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 86.1 mt -56.06 -52.88 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 3.0 110.682 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -43.88 71.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.391 . . . . 3.7999999999999998 110.972 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.64 -49.27 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.551 -0.295 . . . . 3.8799999999999999 110.755 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -45.24 92.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 5.25 110.193 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -54.79 -45.76 74.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.847 -0.615 . . . . 2.5299999999999998 110.523 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.05 77.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 1.5600000000000001 110.537 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -35.44 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 3.3700000000000001 109.668 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.43 ' HE2' ' C ' ' A' ' 19' ' ' GLU . 19.6 t80 -59.52 -52.19 66.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.767 -0.651 . . . . 1.71 110.158 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.49 -52.05 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.818 -0.438 . . . . 1.8799999999999999 109.818 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -49.79 -54.08 21.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.006 178.777 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -52.61 -56.26 16.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.449 . . . . 3.2000000000000002 111.192 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -58.47 -34.36 70.78 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 120.623 -0.431 . . . . 3.6600000000000001 111.598 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.617 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -57.38 -44.91 84.86 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.422 -0.511 . . . . 3.3199999999999998 109.848 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.617 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 5.2 mm-40 -59.23 -47.93 83.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.99 0.424 . . . . 3.0299999999999998 110.138 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.98 -46.62 78.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 2.8900000000000001 110.179 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.72 -53.62 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.546 . . . . 4.4800000000000004 109.928 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -53.98 -50.55 66.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.265 -0.425 . . . . 4.0999999999999996 109.956 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.14 -47.88 65.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 3.0800000000000001 110.429 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.48 -49.38 61.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.271 -0.422 . . . . 2.2400000000000002 110.699 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.06 76.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 2.5600000000000001 110.283 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.68 83.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.902 -0.59 . . . . 2.7599999999999998 110.704 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -40.39 82.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 5.0999999999999996 110.307 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.88 83.08 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.914 -0.66 . . . . 3.27 111.776 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 4.4100000000000001 110.233 179.379 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 t60 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.478 0.18 . . . . 4.8200000000000003 111.442 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -56.8 -41.91 78.59 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.237 -0.185 . . . . 4.4699999999999998 110.854 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.48 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 19.9 t80 -56.25 -44.24 79.49 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.705 -0.85 . . . . 1.29 108.705 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -50.97 38.13 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.911 -0.774 . . . . 3.2799999999999998 108.911 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -56.2 -53.72 53.76 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.658 -0.701 . . . . 5.04 109.588 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 1.063 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 3.8 m-20 -48.97 -49.64 39.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.787 0.327 . . . . 2.1000000000000001 110.291 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 1.006 ' HA ' ' OE2' ' A' ' 19' ' ' GLU . 1.9 mmm -53.79 -52.66 59.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.118 0.485 . . . . 2.7200000000000002 109.952 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.05 -44.75 71.34 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.722 -0.672 . . . . 2.46 109.688 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -43.09 62.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 2.4900000000000002 110.738 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 1.27 ' OE1' HG12 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -66.99 -59.04 3.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.568 -0.53 . . . . 3.0699999999999998 109.568 178.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.55 -37.88 8.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.992 -0.744 . . . . 2.5 108.992 178.364 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -67.63 -45.68 74.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.374 -0.83 . . . . 2.1200000000000001 109.509 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.641 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 63.7 t90 -49.82 -43.74 48.92 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.298 -0.41 . . . . 2.8799999999999999 110.041 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -50.39 -59.71 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 2.46 109.85 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -43.65 70.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 3.8999999999999999 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -45.38 86.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.439 . . . . 3.4500000000000002 111.042 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -63.11 -50.6 69.85 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.632 -0.507 . . . . 3.25 109.632 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -50.29 -43.3 53.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.266 0.555 . . . . 3.9900000000000002 109.666 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -38.96 92.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.676 -0.693 . . . . 3.6299999999999999 110.3 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -43.86 95.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 3.6499999999999999 110.028 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -39.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.742 -0.663 . . . . 2.8599999999999999 110.526 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 3.1200000000000001 110.466 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 2.6 m -73.03 -43.54 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 3.25 110.595 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.916 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 3.8 mm-40 136.52 -6.71 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 O-C-N 124.571 1.169 . . . . 4.3700000000000001 110.571 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 1.2 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 61.27 116.62 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.127 -0.488 . . . . 4.9000000000000004 112.026 179.253 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 58.13 63.95 1.63 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.859 -0.61 . . . . 9.8000000000000007 111.919 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.0 176.78 0.59 Allowed Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.166 -0.54 . . . . 5.1699999999999999 113.752 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.512 HH11 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -161.1 120.18 2.55 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.748 0.308 . . . . 7.8799999999999999 110.611 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.59 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -79.23 -31.8 43.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.458 -0.571 . . . . 5.96 109.458 178.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.59 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 34.2 tp 122.39 58.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.391 1.057 . . . . 5.7300000000000004 110.82 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.469 HG22 ' HB2' ' A' ' 43' ' ' GLN . 5.1 t -150.32 74.22 1.18 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.72 -0.673 . . . . 4.3499999999999996 110.296 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.47 -55.57 2.56 Favored Glycine 0 CA--C 1.52 0.385 0 CA-C-N 116.059 -0.519 . . . . 4.2800000000000002 114.128 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -61.05 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 112.78 0.659 . . . . 4.8200000000000003 112.78 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.469 ' HB2' HG22 ' A' ' 40' ' ' THR . 24.1 mm100 -67.28 -23.42 65.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.104 0.478 . . . . 4.7400000000000002 110.358 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.765 -0.652 . . . . 4.1299999999999999 109.801 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.7 -56.76 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 4.5999999999999996 109.528 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -40.27 71.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.007 -0.542 . . . . 6.1799999999999997 109.724 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.97 96.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.663 -0.699 . . . . 4.71 110.187 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 1.2 ' HE3' ' OD1' ' A' ' 34' ' ' ASP . 10.6 mttt -58.36 -50.58 73.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.591 -0.522 . . . . 4.54 109.591 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.41 -53.97 31.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 4.0 110.502 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 1.241 ' CA ' ' OE1' ' A' ' 53' ' ' GLU . 2.1 mptp? -52.71 -48.04 66.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.959 0.409 . . . . 3.6099999999999999 110.345 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -58.6 -38.11 77.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 4.8099999999999996 110.201 179.355 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -53.4 58.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.621 -0.718 . . . . 3.3700000000000001 110.154 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 1.241 ' OE1' ' CA ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -51.11 -48.9 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 3.1699999999999999 110.407 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.25 63.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.431 . . . . 1.79 110.65 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.45 -49.2 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 2.6000000000000001 110.142 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.06 -39.74 56.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 3.1200000000000001 111.674 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.88 -48.73 75.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 1.78 111.49 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.66 -24.76 53.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 1.8100000000000001 111.481 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.641 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -73.86 -26.88 60.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.296 -0.411 . . . . 3.2599999999999998 111.59 -179.179 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.562 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -58.16 -62.39 5.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 119.022 -1.071 . . . . 3.0099999999999998 108.603 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.562 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 47.2 Cg_exo -57.94 -48.58 15.81 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.335 2.023 . . . . 1.97 112.342 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.83 -56.37 21.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.082 -0.508 . . . . 1.72 112.298 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CG1' ' O ' ' A' ' 59' ' ' HIS . 1.4 mm -55.14 -50.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 1.8500000000000001 110.403 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.71 -49.77 64.71 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.411 -0.359 . . . . 4.1100000000000003 110.318 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.96 -46.37 14.53 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.851 -0.69 . . . . 1.54 111.984 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 1.27 HG12 ' OE1' ' A' ' 19' ' ' GLU . 5.8 t -57.24 -57.77 8.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.006 0.431 . . . . 2.0699999999999998 110.126 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 tt -48.64 -51.47 28.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.95 -0.568 . . . . 2.7999999999999998 110.147 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -53.18 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 2.2400000000000002 110.647 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -56.65 -47.3 80.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.852 0.358 . . . . 1.54 110.436 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.48 -42.73 84.56 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.482 -0.866 . . . . 1.05 111.666 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -58.52 -39.9 81.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.832 0.348 . . . . 3.6699999999999999 110.513 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.32 -54.69 15.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.12 -0.491 . . . . 4.1299999999999999 110.688 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.21 -48.29 71.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 2.1000000000000001 110.55 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -45.04 65.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 2.0899999999999999 110.766 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -40.12 94.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 2.3399999999999999 110.84 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 5.4 m-20 -61.91 -46.98 86.97 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.605 -0.517 . . . . 2.8900000000000001 109.605 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -167.56 136.95 2.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.387 -0.824 . . . . 5.0999999999999996 109.618 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.9 HG21 ' OE2' ' A' ' 82' ' ' GLU . 4.0 m -89.21 -39.64 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 5.3099999999999996 111.107 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mm -56.82 99.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.048 -0.524 . . . . 4.9100000000000001 110.946 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.99 -36.59 3.39 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 115.959 -0.564 . . . . 3.2000000000000002 112.279 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -25.94 58.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.396 0.147 . . . . 4.7199999999999998 111.396 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.9 ' OE2' HG21 ' A' ' 78' ' ' THR . 65.8 mm-40 -40.51 -47.24 2.63 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.706 -0.224 . . . . 3.23 111.284 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.1 -59.98 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 2.9399999999999999 110.665 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.7 mt -55.43 -44.72 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 3.0 110.254 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -42.56 70.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 3.7999999999999998 110.587 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -49.71 76.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.863 0.363 . . . . 3.8799999999999999 110.206 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -61.52 -47.34 86.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 5.25 110.127 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.8 tp -55.63 -43.1 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 2.5299999999999998 110.185 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.01 78.29 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.176 -0.466 . . . . 1.5600000000000001 110.058 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.65 -43.3 94.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 3.3700000000000001 109.9 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -56.16 -49.1 74.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.07 -0.514 . . . . 1.71 109.816 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 t -51.84 -52.94 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.456 -0.338 . . . . 1.8799999999999999 110.691 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.792 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.11 -52.31 44.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 1.71 110.411 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.792 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 11.0 m-70 -55.39 -52.92 61.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.072 0.463 . . . . 3.2000000000000002 109.962 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 59' ' ' HIS . 56.8 t-105 -51.27 -44.9 61.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.696 -0.684 . . . . 3.6600000000000001 110.042 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -54.21 -55.43 28.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.419 -0.809 . . . . 3.3199999999999998 110.189 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -43.84 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 3.0299999999999998 110.148 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -52.99 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 2.8900000000000001 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -57.87 -43.65 86.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 4.4800000000000004 109.99 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -53.41 58.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 4.0999999999999996 110.261 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.51 -49.16 65.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 3.0800000000000001 110.095 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.56 58.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.926 -0.579 . . . . 2.2400000000000002 110.733 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.16 -48.55 70.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 2.5600000000000001 110.747 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.02 81.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.993 -0.549 . . . . 2.7599999999999998 110.576 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.63 98.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 5.0999999999999996 110.553 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.0 97.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.782 -0.723 . . . . 3.27 111.787 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.957 0.408 . . . . 4.4100000000000001 110.272 179.613 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.473 ' CD2' HE22 ' A' ' 11' ' ' GLN . 1.5 t60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.879 0.371 . . . . 4.8200000000000003 110.437 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.473 HE22 ' CD2' ' A' ' 10' ' ' HIS . 1.3 mp0 -66.04 -29.97 70.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 4.4699999999999998 110.22 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.405 ' CE1' ' HB ' ' A' ' 69' ' ' THR . 80.4 t80 -58.03 -50.49 73.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.397 -0.594 . . . . 1.29 109.397 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -50.43 56.56 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.77 -0.455 . . . . 3.2799999999999998 109.77 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -54.72 -53.98 47.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 5.04 110.037 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -50.98 -50.04 59.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 2.1000000000000001 110.223 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -54.24 36.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.304 -0.407 . . . . 2.7200000000000002 110.61 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.74 -48.11 72.99 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.243 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -46.32 61.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 2.4900000000000002 110.584 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.642 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 5.2 mm-40 -65.25 -58.46 5.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 3.0699999999999998 109.786 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -40.32 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 2.5 109.729 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 t -67.08 -47.03 72.47 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.345 -0.613 . . . . 2.1200000000000001 109.345 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 47.4 t90 -49.4 -45.45 46.13 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.064 -0.516 . . . . 2.8799999999999999 109.805 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.4 mm -45.96 -59.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.035 0.445 . . . . 2.46 110.343 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -55.8 -46.49 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 3.8999999999999999 110.675 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -35.88 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 3.4500000000000002 110.962 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -55.03 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 3.25 110.557 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.16 -37.26 61.71 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.883 0.373 . . . . 3.9900000000000002 110.432 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 tt -70.9 -35.73 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 3.6299999999999999 110.223 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.07 -45.36 95.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.964 -0.562 . . . . 3.6499999999999999 110.644 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.12 -47.78 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 2.8599999999999999 110.446 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m -53.49 -33.25 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 3.1200000000000001 111.092 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 m -80.8 -52.6 7.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 3.25 111.401 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.03 56.26 0.8 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.988 -0.551 . . . . 4.3700000000000001 111.376 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -51.57 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 4.9000000000000004 110.787 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -174.68 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.079 -0.51 . . . . 9.8000000000000007 110.635 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.14 -123.22 8.38 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.105 -0.569 . . . . 5.1699999999999999 113.283 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 118.94 30.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.432 0.158 . . . . 7.8799999999999999 110.858 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -36.48 -51.7 0.83 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.331 -0.395 . . . . 5.96 111.598 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -40.48 -50.2 2.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.171 -0.468 . . . . 5.7300000000000004 111.612 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.7 m -87.35 -26.37 23.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.484 -0.326 . . . . 4.3499999999999996 110.589 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.54 -43.23 1.53 Allowed Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.889 -0.596 . . . . 4.2800000000000002 112.942 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -50.61 -59.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.832 0.316 . . . . 4.8200000000000003 111.224 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -28.96 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.183 0.516 . . . . 4.7400000000000002 110.033 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.9 -36.67 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 4.1299999999999999 110.224 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.57 -57.32 11.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 4.5999999999999996 110.006 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -48.55 -42.45 33.48 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.123 -0.49 . . . . 6.1799999999999997 110.569 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -43.29 85.07 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.076 -0.511 . . . . 4.71 110.45 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.36 -41.81 94.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 4.54 110.22 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -55.63 32.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 4.0 110.375 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -53.29 -42.45 66.62 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.15 -0.477 . . . . 3.6099999999999999 110.509 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -38.44 91.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 4.8099999999999996 109.972 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -53.66 55.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 3.3700000000000001 110.731 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.45 -49.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.389 -0.368 . . . . 3.1699999999999999 110.771 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.84 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.151 0.5 . . . . 1.79 110.143 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE2' ' CE1' ' A' ' 59' ' ' HIS . 23.2 tp10 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.467 -0.788 . . . . 2.6000000000000001 110.512 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' CG ' ' HZ2' ' A' ' 99' ' ' LYS . 5.7 tt -56.23 -39.28 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 3.1200000000000001 111.916 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.81 -52.75 62.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.114 -0.493 . . . . 1.78 112.251 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.72 -23.88 42.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.8100000000000001 112.065 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.713 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 6.7 m80 -72.88 -25.51 61.11 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 3.2599999999999998 112.503 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.533 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -65.52 -61.4 5.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.253 -0.647 . . . . 3.0099999999999998 109.253 179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 31.8 Cg_exo -58.54 -40.87 70.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.116 1.877 . . . . 1.97 112.158 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.39 -61.23 2.73 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.519 0.563 . . . . 1.72 112.519 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.584 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 1.6 mp -68.97 -40.18 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.675 -0.239 . . . . 1.8500000000000001 111.315 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -56.65 -52.24 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.641 0.258 . . . . 4.1100000000000003 110.664 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.2 -45.36 10.32 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.766 -0.731 . . . . 1.54 111.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.95 -58.59 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.899 0.381 . . . . 2.0699999999999998 110.173 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tt -46.72 -48.67 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 2.7999999999999998 110.659 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -55.24 30.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 2.2400000000000002 110.959 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.405 ' HB ' ' CE1' ' A' ' 12' ' ' PHE . 5.5 m -58.03 -44.01 87.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.936 0.398 . . . . 1.54 110.119 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.724 -0.75 . . . . 1.05 111.448 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -60.44 -37.02 79.62 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.851 -0.426 . . . . 3.6699999999999999 109.851 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -50.81 70.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.846 -0.616 . . . . 4.1299999999999999 110.085 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.01 -49.66 11.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.154 0.502 . . . . 2.1000000000000001 110.474 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -50.52 -48.99 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.771 -0.649 . . . . 2.0899999999999999 111.785 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -57.16 -43.77 82.87 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.157 0.428 . . . . 2.3399999999999999 112.157 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -83.65 -16.04 46.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.703 0.261 . . . . 2.8900000000000001 111.703 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 66.54 109.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 5.0999999999999996 110.498 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.418 ' H ' ' HD3' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -146.93 143.28 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 5.3099999999999996 110.651 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 pt -65.99 113.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.364 -0.38 . . . . 4.9100000000000001 110.688 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.25 -28.12 4.62 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.551 -0.62 . . . . 3.2000000000000002 111.551 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 78' ' ' THR . 11.9 pttm -47.33 -45.91 24.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 4.7199999999999998 111.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -54.09 -58.11 8.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 3.23 111.182 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.39 -39.99 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.039 0.447 . . . . 2.9399999999999999 110.092 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 84' ' ' ILE . 12.3 mm -55.26 -50.92 60.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 3.0 110.061 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -48.35 67.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 3.7999999999999998 110.641 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.18 -51.08 70.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 3.8799999999999999 110.377 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -58.26 -47.36 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 5.25 110.661 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 35.6 tp -57.19 -41.68 79.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 2.5299999999999998 110.704 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.48 75.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 1.5600000000000001 110.262 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.03 -39.74 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.646 . . . . 3.3700000000000001 109.377 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CZ ' ' HB3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -54.86 -54.34 43.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.34 -0.845 . . . . 1.71 110.116 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.6 t -55.4 -53.26 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 1.8799999999999999 111.371 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.87 -44.49 86.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.703 0.287 . . . . 1.71 111.233 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.44 -48.91 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.555 -0.293 . . . . 3.2000000000000002 110.878 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.479 ' CD1' ' HH2' ' A' ' 22' ' ' TRP . 20.4 t90 -67.94 -34.03 75.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.44 -0.346 . . . . 3.6600000000000001 110.153 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -50.42 74.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 3.3199999999999998 110.262 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.71 -49.47 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 3.0299999999999998 110.361 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.21 -42.07 85.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.797 -0.638 . . . . 2.8900000000000001 111.049 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.406 ' HZ2' ' CG ' ' A' ' 56' ' ' LEU . 3.7 mmtp -61.23 -48.67 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.131 -0.322 . . . . 4.4800000000000004 110.131 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -56.17 -52.01 65.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.391 . . . . 4.0999999999999996 110.386 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.23 -46.84 82.61 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.256 -0.429 . . . . 3.0800000000000001 110.575 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.39 78.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 2.2400000000000002 110.954 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 2.5600000000000001 110.873 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.89 91.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.275 -0.421 . . . . 2.7599999999999998 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -42.51 98.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 5.0999999999999996 110.656 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.36 -35.24 91.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.082 -0.58 . . . . 3.27 112.241 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.689 0.28 . . . . 4.4100000000000001 110.747 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m80 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.098 0.475 . . . . 4.8200000000000003 109.865 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -60.19 -42.81 95.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.717 -0.674 . . . . 4.4699999999999998 110.068 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -48.9 -51.17 31.47 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.425 -0.352 . . . . 1.29 110.978 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -48.59 -50.41 32.59 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.531 -0.468 . . . . 3.2799999999999998 109.908 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB3' ' NH1' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -60.71 -48.91 79.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.889 -0.596 . . . . 5.04 110.087 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.51 -42.84 64.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.363 . . . . 2.1000000000000001 110.398 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.504 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 4.7 tpt -59.58 -58.42 8.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 2.7200000000000002 110.125 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.13 -44.59 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.741 -0.466 . . . . 2.46 109.741 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.52 -50.06 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 2.4900000000000002 110.683 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.588 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 13.2 pt-20 -62.33 -54.43 40.67 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.832 -0.433 . . . . 3.0699999999999998 109.832 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.588 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -48.3 -40.52 25.28 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.486 -0.561 . . . . 2.5 109.486 178.366 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.24 90.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.962 -0.563 . . . . 2.1200000000000001 109.861 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.643 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 22.1 t90 -48.77 -45.04 39.35 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 110.325 -0.25 . . . . 2.8799999999999999 110.325 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.413 ' HA ' ' CE3' ' A' ' 22' ' ' TRP . 71.3 mt -52.33 -60.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.03 0.443 . . . . 2.46 110.315 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -53.9 -37.92 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 3.8999999999999999 110.826 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -51.1 70.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.123 -0.49 . . . . 3.4500000000000002 110.547 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -59.52 -48.72 80.58 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.573 -0.528 . . . . 3.25 109.573 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -49.48 -47.61 48.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.19 -0.459 . . . . 3.9900000000000002 110.186 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -37.52 84.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.008 -0.542 . . . . 3.6299999999999999 110.154 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.89 82.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 3.6499999999999999 110.553 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.576 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 19.1 t -54.05 -48.94 63.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 2.8599999999999999 110.687 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.521 ' HA ' ' OD1' ' A' ' 34' ' ' ASP . 2.3 p -51.12 -34.47 30.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.121 -0.491 . . . . 3.1200000000000001 110.628 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -40.61 25.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 3.25 111.001 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 1.144 ' OE2' ' NH1' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -56.57 -40.74 75.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 4.3700000000000001 110.465 179.732 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.576 ' OD1' ' O ' ' A' ' 30' ' ' VAL . 8.3 p-10 -74.22 73.52 1.78 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.898 -0.592 . . . . 4.9000000000000004 110.3 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.435 ' C ' ' HD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -73.17 -147.88 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.089 -0.505 . . . . 9.8000000000000007 111.664 -178.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.61 58.79 0.66 Allowed Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.127 -0.559 . . . . 5.1699999999999999 112.152 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? 62.28 124.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.228 0.537 . . . . 7.8799999999999999 111.56 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 43.9 p-10 -103.25 -16.97 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.689 -0.687 . . . . 5.96 110.025 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER 103.96 21.14 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.05 0.844 . . . . 5.7300000000000004 111.102 179.566 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 t -169.32 43.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 4.3499999999999996 109.877 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.46 -55.27 1.65 Allowed Glycine 0 C--O 1.225 -0.428 0 CA-C-N 115.662 -0.699 . . . . 4.2800000000000002 113.739 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.5 t -44.29 -60.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.108 0.454 . . . . 4.8200000000000003 112.169 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -62.39 -37.63 86.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.036 0.446 . . . . 4.7400000000000002 110.811 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.61 68.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 4.1299999999999999 110.365 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -56.64 10.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.69 -0.485 . . . . 4.5999999999999996 109.69 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -53.03 -38.74 62.64 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.14 -0.482 . . . . 6.1799999999999997 110.033 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -55.51 32.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 4.71 109.927 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -54.5 -45.72 73.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 4.54 109.929 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CE1' ' OE2' ' A' ' 53' ' ' GLU . 75.6 t60 -52.63 -49.89 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 4.0 110.515 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -44.97 51.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.349 -0.387 . . . . 3.6099999999999999 110.397 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 1.144 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 17.7 ttp180 -67.19 -36.67 82.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 4.8099999999999996 110.178 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.86 -45.92 90.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.851 -0.613 . . . . 3.3700000000000001 110.187 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.823 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -50.49 -54.69 20.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.898 -0.408 . . . . 3.1699999999999999 109.898 179.01 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.65 63.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.991 -0.55 . . . . 1.79 109.974 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 6.0 mt-10 -49.71 -54.58 17.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 2.6000000000000001 110.367 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.497 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 51.9 mt -55.24 -34.57 64.1 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.962 -0.563 . . . . 3.1200000000000001 111.737 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -68.79 -31.59 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 1.78 111.78 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.65 -19.66 60.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.326 0.491 . . . . 1.8100000000000001 112.326 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.643 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 43.6 m80 -63.79 -41.99 97.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.371 . . . . 3.2599999999999998 110.886 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 8.4 tp10 -58.64 -61.64 7.27 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 3.0099999999999998 110.705 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 19.7 Cg_endo -60.06 -46.61 18.3 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.608 2.206 . . . . 1.97 113.551 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.26 69.63 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.301 0.852 . . . . 1.72 113.301 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.7 mt -80.24 -41.8 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.03 -0.268 . . . . 1.8500000000000001 111.692 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -52.78 -50.67 63.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 121.25 -0.18 . . . . 4.1100000000000003 110.756 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.45 -48.92 8.59 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 120.506 -0.854 . . . . 1.54 111.868 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' CG1' ' SD ' ' A' ' 16' ' ' MET . 17.2 t -59.69 -55.13 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 2.0699999999999998 110.754 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.55 -49.18 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 2.7999999999999998 110.929 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.13 -51.15 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 2.2400000000000002 110.907 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.5 m -60.69 -47.02 88.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.954 -0.298 . . . . 1.54 110.415 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.31 -40.86 92.57 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.624 -0.798 . . . . 1.05 112.299 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -58.55 -43.17 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.762 -0.459 . . . . 3.6699999999999999 109.762 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -47.66 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.725 -0.671 . . . . 4.1299999999999999 109.577 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.31 -45.75 45.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.668 -0.696 . . . . 2.1000000000000001 110.292 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -54.19 -57.2 12.05 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.062 -0.517 . . . . 2.0899999999999999 111.067 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.94 -32.7 66.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 2.3399999999999999 110.978 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.67 -25.75 38.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 2.8900000000000001 111.238 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.94 84.02 2.19 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.364 -0.38 . . . . 5.0999999999999996 110.869 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -54.16 38.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 5.3099999999999996 110.506 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 tp -95.61 104.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 4.9100000000000001 110.578 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.34 -31.5 2.51 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.95 -0.643 . . . . 3.2000000000000002 112.17 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -47.34 -39.27 14.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.509 0.195 . . . . 4.7199999999999998 111.423 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -51.81 -51.63 55.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 3.23 111.113 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -52.42 -53.25 47.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.906 0.384 . . . . 2.9399999999999999 110.351 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.2 mt -54.66 -47.95 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 3.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -54.17 -44.18 71.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 3.7999999999999998 110.292 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.428 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 2.0 tp-100 -60.08 -48.97 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.015 -0.365 . . . . 3.8799999999999999 110.015 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -57.59 -50.03 74.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 5.25 110.486 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 tt -58.14 -40.72 82.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 2.5299999999999998 110.158 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.63 -34.37 64.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.951 -0.568 . . . . 1.5600000000000001 110.71 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -67.05 -45.2 78.12 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.778 -0.452 . . . . 3.3700000000000001 109.778 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -52.94 -49.42 66.07 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.151 -0.477 . . . . 1.71 109.795 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.3 t -56.08 -50.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.997 -0.547 . . . . 1.8799999999999999 110.32 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 8.1 t70 -52.23 -47.86 65.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 1.71 109.896 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -52.19 -58.56 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 3.2000000000000002 109.961 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -55.08 -41.93 72.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.353 -0.385 . . . . 3.6600000000000001 110.39 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -50.99 -48.11 61.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.279 -0.419 . . . . 3.3199999999999998 109.972 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -39.87 91.38 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.643 -0.503 . . . . 3.0299999999999998 109.643 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.1 tt -56.5 -42.53 78.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.588 . . . . 2.8900000000000001 110.19 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -55.39 -55.54 30.46 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.257 -0.645 . . . . 4.4800000000000004 109.257 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -52.56 29.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 4.0999999999999996 109.854 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.88 -50.08 47.21 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 116.124 -0.489 . . . . 3.0800000000000001 110.292 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.91 73.82 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.048 -0.524 . . . . 2.2400000000000002 110.46 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.42 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.971 -0.559 . . . . 2.5600000000000001 110.029 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.36 69.85 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.885 -0.598 . . . . 2.7599999999999998 110.157 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.66 71.22 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.245 -0.65 . . . . 5.0999999999999996 109.245 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.61 -37.57 61.38 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.984 -0.626 . . . . 3.27 111.95 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.038 0.447 . . . . 4.4100000000000001 109.893 179.324 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.925 0.393 . . . . 4.8200000000000003 110.683 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -67.64 -40.62 84.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 4.4699999999999998 109.558 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 35.8 t80 -47.48 -46.9 27.52 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.026 -0.534 . . . . 1.29 109.984 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' CE2' HG13 ' A' ' 84' ' ' ILE . 14.9 m-85 -50.94 -51.82 48.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.611 -0.436 . . . . 3.2799999999999998 110.161 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -61.8 -51.2 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 5.04 111.258 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 16' ' ' MET . 6.2 p30 -59.81 -35.12 74.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.202 -0.599 . . . . 2.1000000000000001 111.4 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.443 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.5 ttp -65.29 -53.24 47.02 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.866 0.365 . . . . 2.7200000000000002 110.317 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.3 -48.92 70.75 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.0 -0.546 . . . . 2.46 110.339 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.09 -49.52 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 2.4900000000000002 110.438 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 1.093 ' OE2' HD12 ' A' ' 63' ' ' ILE . 2.9 tm-20 -61.76 -59.22 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.965 0.412 . . . . 3.0699999999999998 110.216 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 1.496 ' OE1' ' CD2' ' A' ' 91' ' ' PHE . 1.2 tp10 -50.37 -35.15 26.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.392 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.12 -43.51 91.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.634 -0.506 . . . . 2.1200000000000001 109.634 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -62.37 -43.82 97.92 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.036 -0.529 . . . . 2.8799999999999999 110.16 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -59.57 -50.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.146 -0.479 . . . . 2.46 110.404 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 36.9 mtmm -57.95 -47.95 81.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.78 0.324 . . . . 3.8999999999999999 111.142 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.08 -43.78 95.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.352 -0.385 . . . . 3.4500000000000002 110.959 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -46.25 71.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.013 -0.54 . . . . 3.25 110.733 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -54.99 -40.12 69.74 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.63 -0.507 . . . . 3.9900000000000002 109.63 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.41 -43.9 92.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.916 -0.584 . . . . 3.6299999999999999 110.026 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -44.62 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 3.6499999999999999 110.276 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.32 -43.95 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 2.8599999999999999 110.629 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -54.21 -36.85 63.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.379 -0.373 . . . . 3.1200000000000001 110.485 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -73.61 -47.19 42.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 3.25 110.155 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.94 44.5 13.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.578 -0.737 . . . . 4.3700000000000001 111.16 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -47.87 131.38 15.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.945 -0.571 . . . . 4.9000000000000004 110.862 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -103.99 -58.55 1.86 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.23 -0.441 . . . . 9.8000000000000007 111.361 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.56 128.39 0.13 Allowed Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.865 -0.683 . . . . 5.1699999999999999 111.723 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.452 ' HD2' ' C ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -74.89 125.77 29.55 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.238 0.542 . . . . 7.8799999999999999 111.838 -179.341 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -146.95 18.23 1.25 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.222 -1.029 . . . . 5.96 108.222 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.91 29.57 19.13 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 114.516 -1.22 . . . . 5.7300000000000004 111.336 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.454 ' O ' HG21 ' A' ' 40' ' ' THR . 11.4 t -174.98 57.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.701 -0.681 . . . . 4.3499999999999996 109.993 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.64 -42.6 1.03 Allowed Glycine 0 C--N 1.332 0.345 0 CA-C-N 115.933 -0.576 . . . . 4.2800000000000002 113.472 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.441 HG21 ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -57.33 -60.15 2.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.943 0.372 . . . . 4.8200000000000003 111.135 179.607 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.441 ' H ' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -58.18 -33.83 69.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.931 0.396 . . . . 4.7400000000000002 110.408 179.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.57 -47.93 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.575 . . . . 4.1299999999999999 110.449 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -47.41 85.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.067 -0.515 . . . . 4.5999999999999996 110.054 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -52.69 -43.48 65.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 6.1799999999999997 110.331 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -53.24 -51.69 61.38 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.995 0.426 . . . . 4.71 110.149 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.03 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.773 -0.649 . . . . 4.54 110.398 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -56.02 -38.15 70.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.902 -0.59 . . . . 4.0 110.697 179.631 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -51.59 -46.17 63.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.318 -0.401 . . . . 3.6099999999999999 110.72 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -62.74 -42.9 99.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 4.8099999999999996 109.669 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -52.12 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.602 -0.726 . . . . 3.3700000000000001 110.293 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -51.07 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.032 -0.531 . . . . 3.1699999999999999 110.602 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.11 67.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.996 0.427 . . . . 1.79 110.34 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -52.18 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 2.6000000000000001 110.045 178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' HG ' ' CH2' ' A' ' 95' ' ' TRP . 2.4 tp -49.2 -37.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.547 -0.751 . . . . 3.1200000000000001 111.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 1.78 111.464 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.0 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.8100000000000001 111.912 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.518 ' O ' HG12 ' A' ' 63' ' ' ILE . 6.6 m-70 -63.67 -45.17 91.35 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.74 -0.384 . . . . 3.2599999999999998 111.124 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -38.68 -64.35 0.49 Allowed Pre-proline 0 N--CA 1.466 0.356 0 C-N-CA 121.009 -0.277 . . . . 3.0099999999999998 110.595 -178.45 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 73.0 Cg_exo -44.96 -44.94 14.51 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.458 2.106 . . . . 1.97 112.566 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.57 45.2 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.552 0.575 . . . . 1.72 112.552 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 1.093 HD12 ' OE2' ' A' ' 19' ' ' GLU . 1.4 mm -76.05 -49.86 24.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.591 0.234 . . . . 1.8500000000000001 110.554 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -58.74 -52.36 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.528 -0.545 . . . . 4.1100000000000003 109.528 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.44 -50.03 30.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.598 -0.81 . . . . 1.54 111.721 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -54.71 -54.94 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-O 120.795 0.331 . . . . 2.0699999999999998 110.229 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tt -49.17 -53.36 21.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 2.7999999999999998 110.64 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.838 ' OD1' ' N ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -52.6 -50.45 63.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.362 -0.381 . . . . 2.2400000000000002 110.811 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.838 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.9 m -58.89 -47.66 84.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.806 0.336 . . . . 1.54 110.683 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.92 -40.0 64.05 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.718 -0.753 . . . . 1.05 111.964 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -40.11 69.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.977 0.418 . . . . 3.6699999999999999 109.932 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -65.75 -48.93 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 4.1299999999999999 109.778 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mp -48.05 -42.65 28.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 2.1000000000000001 110.305 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 m -50.61 -56.04 13.59 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.081 -0.509 . . . . 2.0899999999999999 110.471 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.519 . . . . 2.3399999999999999 110.832 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.79 -30.54 68.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.983 -0.553 . . . . 2.8900000000000001 110.933 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 10.5 t-20 56.81 -125.15 1.87 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.13 -0.486 . . . . 5.0999999999999996 111.367 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.9 m 66.76 61.6 0.53 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.013 0.435 . . . . 5.3099999999999996 111.478 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 80' ' ' GLY . 4.0 mp 38.53 -108.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 115.66 -0.7 . . . . 4.9100000000000001 112.419 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 79' ' ' ILE . . . -14.95 -57.8 0.01 OUTLIER Glycine 0 CA--C 1.527 0.834 0 N-CA-C 115.959 1.144 . . . . 3.2000000000000002 115.959 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 13.0 mttp -47.22 -33.93 5.9 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.027 0.751 . . . . 4.7199999999999998 113.027 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -54.16 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 3.23 110.528 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.08 -47.69 65.06 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.705 -0.479 . . . . 2.9399999999999999 109.705 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.439 HG13 ' CE2' ' A' ' 13' ' ' PHE . 3.4 mm -55.86 -49.32 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 3.0 110.015 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -51.54 48.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 3.7999999999999998 110.55 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.378 -0.374 . . . . 3.8799999999999999 110.464 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -59.18 -47.5 85.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 5.25 110.529 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.2 -42.72 77.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 2.5299999999999998 110.348 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.12 76.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 1.5600000000000001 110.565 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -71.62 -38.36 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.448 -0.575 . . . . 3.3700000000000001 109.448 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 1.496 ' CD2' ' OE1' ' A' ' 20' ' ' GLU . 14.4 t80 -56.11 -49.51 73.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.332 -0.618 . . . . 1.71 109.332 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t -51.93 -52.61 21.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.221 -0.445 . . . . 1.8799999999999999 110.265 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.04 -54.78 18.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.143 0.497 . . . . 1.71 109.949 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.79 -53.78 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 3.2000000000000002 110.25 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.42 ' CH2' ' HG ' ' A' ' 56' ' ' LEU . 66.3 t-105 -51.56 -45.64 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 3.6600000000000001 110.312 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -52.46 55.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.724 . . . . 3.3199999999999998 111.179 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -45.54 86.75 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.792 0.33 . . . . 3.0299999999999998 110.74 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -47.13 87.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 2.8900000000000001 110.684 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -46.66 81.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 4.4800000000000004 110.036 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.422 ' NE2' ' N ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -54.45 -55.37 29.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 4.0999999999999996 109.892 178.653 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' N ' ' NE2' ' A' ' 100' ' ' GLN . 0.4 OUTLIER -50.24 -48.18 54.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.506 . . . . 3.0800000000000001 110.594 179.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.85 74.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 2.2400000000000002 110.635 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.22 66.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 2.5600000000000001 110.668 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.0 94.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.492 . . . . 2.7599999999999998 110.472 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 49' ' ' HIS . 16.1 mmt180 -60.64 -33.52 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 5.0999999999999996 110.988 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.69 -30.49 63.92 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.78 -0.724 . . . . 3.27 112.0 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.763 0.316 . . . . 4.4100000000000001 110.815 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.822 0.344 . . . . 4.11 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -58.99 -55.57 33.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 3.73 110.251 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD2' HD22 ' A' ' 73' ' ' LEU . 20.1 t80 -50.39 -47.35 56.4 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.79 -0.448 . . . . 1.14 109.79 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.83 -54.15 42.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.305 -0.628 . . . . 2.77 109.305 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.538 ' NH2' ' HB3' ' A' ' 17' ' ' ASP . 3.1 tpm_? -50.79 -55.63 15.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 4.35 110.207 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.29 -51.13 47.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.892 0.377 . . . . 2.1 110.115 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -50.7 60.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.173 0.511 . . . . 2.23 110.025 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' NH2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -53.24 -56.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 2.46 110.173 179.016 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -53.47 -36.5 61.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.974 0.416 . . . . 2.49 110.245 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.6 tt0 -63.56 -59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 3.07 109.607 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' CB ' HH22 ' A' ' 87' ' ' ARG . 9.1 tp10 -45.49 -42.49 10.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.629 -0.878 . . . . 2.5 108.629 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.34 56.0 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 1.59 109.241 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 11.2 t90 -50.74 -41.08 56.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.879 -0.6 . . . . 2.24 110.532 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -57.11 -48.86 81.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.991 0.424 . . . . 1.92 109.93 179.163 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 23' ' ' ILE . 14.1 mmtm -60.11 -45.43 93.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.467 . . . . 3.58 109.835 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -37.4 83.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 3.45 110.315 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -61.84 -55.5 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.69 -0.687 . . . . 2.77 109.224 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -41.64 63.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.07 0.462 . . . . 3.62 110.232 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.65 -45.1 81.8 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.018 -0.537 . . . . 3.19 110.829 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.03 -49.01 72.65 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.029 0.443 . . . . 3.08 110.014 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 48' ' ' LYS . 58.7 t -54.58 -36.64 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 2.48 110.608 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -24.13 58.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 3.01 111.38 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -81.09 -44.0 18.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.062 0.393 . . . . 3.19 112.062 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 112.4 0.519 . . . . 4.37 112.4 -178.301 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.795 0.331 . . . . 4.24 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.576 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 19.3 t-20 -69.67 -41.62 75.24 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.011 -0.541 . . . . 3.83 110.148 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.62 -50.21 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.35 -0.611 . . . . 4.27 109.35 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -56.56 -45.2 81.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 5.49 110.825 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -65.68 -37.68 87.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.758 0.313 . . . . 4.3 110.192 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.693 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -60.45 -49.27 78.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 4.17 109.856 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -49.69 -55.46 13.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 3.6 110.514 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -48.97 52.54 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.333 -0.394 . . . . 3.17 110.81 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 55' ' ' GLU . 10.3 ttp180 -65.23 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 4.13 110.405 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.23 -48.13 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 2.9 110.525 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.94 -52.45 64.09 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.953 -0.299 . . . . 3.17 110.243 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.5 75.13 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.041 0.448 . . . . 1.35 109.915 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 51' ' ' ARG . 19.9 mt-10 -52.31 -56.88 11.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.566 -0.743 . . . . 2.6 110.553 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -40.86 14.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.946 -0.57 . . . . 2.67 111.656 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.35 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 1.37 110.889 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.06 -26.35 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 1.43 112.079 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.829 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.7 m80 -76.32 -24.12 54.31 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.818 -0.173 . . . . 2.61 111.183 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.563 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -65.21 -61.02 6.69 Favored Pre-proline 0 C--N 1.331 -0.208 0 N-CA-C 110.108 -0.33 . . . . 3.01 110.108 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 52.5 Cg_exo -56.07 -39.92 88.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.394 2.063 . . . . 1.6 111.834 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.68 -57.64 11.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.916 -0.583 . . . . 1.31 111.386 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.829 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.4 mt -62.4 -45.49 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 1.08 110.907 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.51 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 3.27 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.18 -50.89 12.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 1.14 111.893 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 67' ' ' LEU . 1.1 t -61.32 -47.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.067 0.46 . . . . 1.46 109.977 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -50.0 -52.11 36.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 2.13 110.581 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.55 -49.22 75.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.354 -0.385 . . . . 2.24 110.125 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -53.1 -48.49 67.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.346 -0.388 . . . . 1.02 110.159 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.06 73.76 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.564 -0.827 . . . . 0.79 111.507 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -42.5 65.69 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.424 -0.584 . . . . 3.25 109.424 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -54.43 46.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.814 -0.63 . . . . 3.71 109.616 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 12' ' ' PHE . 8.3 mp -43.88 -44.96 7.28 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.841 -0.618 . . . . 1.52 110.051 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -53.11 -57.64 9.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.737 -0.665 . . . . 1.76 110.58 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -25.57 66.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 2.34 111.364 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.57 -13.18 30.08 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.544 0.572 . . . . 2.89 112.544 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -153.1 -59.0 0.14 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.386 0.513 . . . . 4.42 112.386 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 70.85 -70.33 0.16 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.404 0.44 . . . . 4.87 110.464 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.9 mt -57.72 93.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.054 0 CA-C-N 115.89 -0.595 . . . . 4.56 110.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.94 -61.59 0.66 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.651 -0.979 . . . . 2.87 110.651 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HG2' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.82 -32.5 8.85 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.679 0.276 . . . . 4.4 110.922 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.13 -41.11 12.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.696 0.284 . . . . 3.0 110.95 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -62.28 -43.36 99.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.956 0.407 . . . . 2.94 110.578 179.534 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 17.7 mt -60.13 -42.27 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 2.47 109.892 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.15 -48.42 53.84 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.646 -0.502 . . . . 3.13 109.646 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.55 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 8.9 tt0 -53.02 -50.1 64.92 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.13 -0.486 . . . . 3.09 110.015 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.474 HH22 ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -58.96 -46.85 87.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 4.43 109.893 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.42 -29.61 67.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.925 -0.579 . . . . 1.9 109.982 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 86' ' ' GLN . . . -55.15 -32.86 62.44 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.844 -0.428 . . . . 0.97 109.844 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -43.92 89.39 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.423 -0.584 . . . . 2.72 109.423 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.801 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.8 t80 -52.21 -54.04 35.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.51 -0.768 . . . . 1.19 110.219 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 92' ' ' VAL . 3.7 t -57.27 -49.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.745 -0.661 . . . . 1.37 110.071 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -49.45 61.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.544 . . . . 1.71 110.549 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.6 -53.79 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.339 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -55.52 -43.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 2.64 110.262 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -52.03 50.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 2.86 110.399 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -47.04 82.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.145 0.498 . . . . 3.03 110.273 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.771 -0.65 . . . . 2.38 110.488 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -52.07 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 4.07 110.313 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.49 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -53.4 -47.87 69.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 3.33 110.604 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.49 ' N ' ' HG2' ' A' ' 100' ' ' GLN . 0.6 OUTLIER -57.85 -49.61 76.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.505 -0.316 . . . . 2.59 110.6 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.93 77.89 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.347 -0.388 . . . . 2.24 110.866 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.35 76.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 2.56 110.663 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.46 72.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 2.74 110.32 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -53.38 -48.86 68.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 4.42 110.775 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.63 89.57 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.896 -0.668 . . . . 3.27 112.333 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.625 0.25 . . . . 4.07 111.024 179.874 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.743 0.306 . . . . 4.11 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.66 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -61.11 -38.69 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.928 -0.397 . . . . 3.73 109.928 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 73' ' ' LEU . 68.4 t80 -51.08 -49.22 61.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.14 110.055 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CZ ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -49.11 -53.37 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 2.77 110.534 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.19 86.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.312 -0.404 . . . . 4.35 110.432 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.66 ' OD2' ' O ' ' A' ' 11' ' ' GLN . 14.5 m-20 -55.65 -45.82 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 2.1 110.288 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.489 ' SD ' ' HG2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.07 -54.24 42.11 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.729 -0.471 . . . . 2.23 109.729 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.54 -51.58 64.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.882 -0.599 . . . . 2.46 109.693 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.05 -45.46 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 2.49 110.437 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 tp10 -64.73 -60.24 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.744 -0.465 . . . . 3.07 109.744 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.4 -33.33 5.85 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.156 0.503 . . . . 2.5 109.788 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -42.41 91.63 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.888 -0.596 . . . . 1.59 109.793 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.638 ' CE3' ' NE2' ' A' ' 59' ' ' HIS . 20.2 t90 -47.84 -47.65 31.34 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.001 -0.74 . . . . 2.24 109.001 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' HA ' ' CE3' ' A' ' 22' ' ' TRP . 27.2 mt -49.88 -56.25 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 N-CA-C 109.081 -0.711 . . . . 1.92 109.081 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -48.03 -46.83 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.294 -0.866 . . . . 3.58 111.186 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.33 -51.46 69.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 3.45 111.232 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -63.22 -41.42 99.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 2.77 110.034 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -46.09 66.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.876 0.37 . . . . 3.62 110.167 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.8 tm? -56.35 -45.6 80.36 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.284 -0.416 . . . . 3.19 110.329 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -44.86 88.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.064 -0.516 . . . . 3.08 110.474 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 26' ' ' LYS . 33.8 t -54.33 -42.4 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.48 110.078 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -39.1 71.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.7 -0.682 . . . . 3.01 110.314 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -66.28 -57.34 7.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.708 -0.678 . . . . 3.19 110.061 179.238 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 32' ' ' SER . 11.6 mm-40 . . . . . 0 N--CA 1.47 0.537 0 O-C-N 124.618 1.199 . . . . 4.37 110.151 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 N-CA-C 111.568 0.21 . . . . 4.24 111.568 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -65.1 -35.62 81.7 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.815 -0.354 . . . . 3.83 110.584 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.51 -53.0 58.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.641 -0.504 . . . . 4.27 109.641 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -52.04 -40.52 61.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.014 -0.539 . . . . 5.49 110.603 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.99 -45.34 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 4.3 110.63 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -36.75 84.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 4.17 110.326 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.2 -53.49 52.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 3.6 110.59 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -41.71 77.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.288 -0.415 . . . . 3.17 110.966 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.63 -46.92 77.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 4.13 110.137 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.33 -46.18 83.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 2.9 110.681 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HA ' HD23 ' A' ' 56' ' ' LEU . 43.2 tt0 -56.59 -51.42 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.377 -0.374 . . . . 3.17 110.976 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.62 95.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 1.35 110.104 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 1.6 tp10 -58.09 -53.63 56.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 2.6 111.47 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -61.83 -37.94 86.34 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.926 0.343 . . . . 2.67 111.926 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 56' ' ' LEU . . . -58.93 -47.85 83.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.475 -0.33 . . . . 1.37 111.856 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.6 -35.5 39.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.605 0.594 . . . . 1.43 112.605 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.638 ' NE2' ' CE3' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -66.03 -33.62 76.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.935 0.717 . . . . 2.61 112.935 -178.264 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.574 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -59.87 -62.98 4.79 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 119.655 -0.818 . . . . 3.01 110.16 -179.401 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.574 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 27.9 Cg_exo -63.43 -41.96 23.92 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.201 1.934 . . . . 1.6 112.33 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -61.25 -55.59 30.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.931 -0.577 . . . . 1.31 112.51 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.582 HD11 ' CD2' ' A' ' 59' ' ' HIS . 65.8 mt -68.08 -45.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.708 -0.224 . . . . 1.08 111.069 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -53.29 -51.98 60.56 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.884 -0.413 . . . . 3.27 109.884 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.9 -45.54 19.18 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.664 -0.779 . . . . 1.14 111.485 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' ALA . 25.6 t -57.15 -57.97 7.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.018 0.437 . . . . 1.46 110.009 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -49.39 -50.19 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 2.13 110.347 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.48 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 2.24 110.744 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 m -56.3 -46.03 79.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 1.02 110.144 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.67 -45.81 54.36 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.809 -0.71 . . . . 0.79 111.962 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -43.47 74.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.088 0.471 . . . . 3.25 109.86 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -62.15 -49.9 74.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.896 -0.593 . . . . 3.71 109.653 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 12' ' ' PHE . 3.8 mp -46.19 -40.54 11.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.758 -0.655 . . . . 1.52 110.383 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.481 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . 2.6 m -58.76 -53.3 59.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 1.76 110.944 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -34.92 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 2.34 111.238 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -73.67 -37.21 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 2.89 111.593 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.05 157.58 21.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.149 0.499 . . . . 4.42 111.998 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 p -79.81 -66.09 0.92 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.666 -0.697 . . . . 4.87 111.163 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.0 pt -123.7 -49.67 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.247 -0.433 . . . . 4.56 111.692 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -31.22 -32.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 114.512 0.565 . . . . 2.87 114.512 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.43 -32.34 7.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.914 0.357 . . . . 4.4 111.944 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.41 -49.96 53.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.311 . . . . 3.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.6 -48.46 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 2.94 110.034 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.405 HD13 HH21 ' A' ' 87' ' ' ARG . 14.7 mm -54.35 -46.06 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 2.47 110.555 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.47 -48.3 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 3.13 110.799 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -59.98 -44.56 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.376 . . . . 3.09 110.142 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.489 ' HG2' ' SD ' ' A' ' 16' ' ' MET . 20.6 ttp85 -59.48 -51.7 68.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 4.43 110.82 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.836 HD12 HD22 ' A' ' 67' ' ' LEU . 4.0 mm? -58.24 -44.33 88.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 1.9 110.245 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.12 74.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.97 110.249 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.48 -47.28 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 2.72 109.686 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' HG3' ' A' ' 19' ' ' GLU . 3.9 t80 -49.07 -50.88 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.669 -0.696 . . . . 1.19 110.168 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 92' ' ' VAL . 2.5 t -53.53 -56.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.37 110.458 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.753 ' OD1' ' C ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.85 -49.27 49.74 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.846 -0.427 . . . . 1.71 109.846 179.315 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.587 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 31.2 m170 -52.08 -58.34 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 2.46 110.752 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -54.14 -40.51 67.48 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.473 -0.33 . . . . 2.64 110.946 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.495 ' HG3' HE22 ' A' ' 100' ' ' GLN . 0.0 OUTLIER -56.38 -49.66 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 2.86 110.791 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 96' ' ' LYS . 3.9 mm-40 -63.17 -39.51 94.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 3.03 110.378 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.8 -45.42 89.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.613 . . . . 2.38 110.353 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.34 -52.34 65.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 4.07 109.957 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.495 HE22 ' HG3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -53.13 -53.18 54.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 3.33 110.369 178.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.92 -48.11 64.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.375 -0.375 . . . . 2.59 110.776 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.11 -46.9 78.96 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.242 -0.435 . . . . 2.24 110.838 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 2.56 110.588 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 2.74 110.682 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -49.75 -44.44 48.6 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.799 -0.445 . . . . 4.42 109.799 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.59 -37.63 95.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 110.772 -0.931 . . . . 3.27 110.772 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 121.174 0.511 . . . . 4.07 109.63 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.58 0.229 . . . . 4.11 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.7 -45.62 81.69 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.152 -0.314 . . . . 3.73 110.152 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -50.47 -48.01 56.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.86 0.362 . . . . 1.14 110.073 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -48.1 74.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.656 -0.498 . . . . 2.77 109.656 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.453 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -57.25 -50.35 73.16 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.009 -0.541 . . . . 4.35 110.095 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.17 -50.48 61.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.961 0.41 . . . . 2.1 110.033 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -54.5 -56.33 19.9 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.987 -0.551 . . . . 2.23 110.636 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.45 -41.17 76.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.107 -0.497 . . . . 2.46 110.264 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.453 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -54.73 -46.37 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 2.49 110.068 179.319 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 6.7 mt-10 -57.38 -60.25 3.92 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.642 -0.503 . . . . 3.07 109.642 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.565 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.1 tp10 -45.73 -45.39 14.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.663 -0.495 . . . . 2.5 109.663 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.64 -47.49 40.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.59 110.81 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 49.0 t90 -45.72 -45.57 14.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.683 -0.235 . . . . 2.24 111.505 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 20' ' ' GLU . 3.5 mt -54.2 -53.79 26.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.88 0.371 . . . . 1.92 110.528 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HZ3' ' CD ' ' A' ' 25' ' ' GLU . 6.4 ttpm? -55.45 -47.75 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.571 . . . . 3.58 111.081 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.438 ' CD ' ' HZ3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.91 -37.05 85.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.042 -0.526 . . . . 3.45 110.721 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.2 -50.49 67.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 2.77 109.842 179.317 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.53 -47.89 19.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.74 -0.467 . . . . 3.62 109.74 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.75 -42.2 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.839 -0.618 . . . . 3.19 110.286 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.61 -37.44 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.751 -0.659 . . . . 3.08 110.934 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 26' ' ' LYS . 38.7 t -55.41 -40.14 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 2.48 110.945 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 p -74.16 -24.71 59.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 3.01 111.452 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 11.7 p -77.99 -44.79 25.61 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.448 -0.342 . . . . 3.19 111.329 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' SER . 3.0 mm-40 . . . . . 0 N--CA 1.465 0.324 0 CA-C-N 115.914 -0.584 . . . . 4.37 111.327 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.985 0.422 . . . . 4.24 110.299 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -68.02 -44.32 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 3.83 110.134 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.44 -54.35 44.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 4.27 109.862 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -50.89 -42.02 58.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.995 -0.548 . . . . 5.49 111.106 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -44.09 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 4.3 110.386 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.22 95.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 4.17 110.389 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CE1' HH21 ' A' ' 105' ' ' ARG . 7.3 t-80 -59.2 -55.55 33.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 3.6 110.542 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -37.32 73.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.04 -0.527 . . . . 3.17 110.514 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -61.4 -48.32 81.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 4.13 110.225 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.49 -53.52 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 2.9 110.407 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.91 -48.72 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 3.17 111.165 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.49 96.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.063 0.458 . . . . 1.35 110.435 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.44 -55.21 37.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 2.6 110.536 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.37 -41.62 63.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.378 -0.374 . . . . 2.67 111.373 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -51.2 64.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 1.37 110.976 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -28.36 69.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.43 112.036 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 6.0 m-70 -68.81 -47.13 66.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 119.571 -0.252 . . . . 2.61 111.013 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.506 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -38.87 -61.97 0.83 Allowed Pre-proline 0 N--CA 1.463 0.19 0 C-N-CA 120.904 -0.318 . . . . 3.01 110.265 -179.493 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 74.2 Cg_exo -42.56 -46.97 7.88 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.152 1.901 . . . . 1.6 112.285 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.55 -23.64 42.69 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.243 0.46 . . . . 1.31 112.243 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 HG23 ' HE1' ' A' ' 91' ' ' PHE . 1.2 mm -72.59 -48.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.648 . . . . 1.08 109.252 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.1 -42.74 99.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.795 -0.817 . . . . 3.27 108.795 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.52 -49.06 11.78 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.839 -0.619 . . . . 1.14 112.141 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -55.94 -51.8 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.085 0 CA-C-N 117.09 0.445 . . . . 1.46 110.101 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.553 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -55.52 -51.31 67.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.839 -0.43 . . . . 2.13 109.839 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -52.09 27.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.906 -0.588 . . . . 2.24 110.465 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.5 m -60.4 -49.15 78.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.588 -0.523 . . . . 1.02 109.588 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.47 -39.27 29.22 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.911 -0.876 . . . . 0.79 110.911 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.58 -44.28 96.71 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.448 -0.575 . . . . 3.25 109.448 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -59.14 -38.12 78.9 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.943 -0.762 . . . . 3.71 108.943 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.8 -42.9 97.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.625 -1.17 . . . . 1.52 109.965 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 t -64.45 -38.8 92.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.48 -0.782 . . . . 1.76 112.083 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -39.22 -60.83 0.85 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.564 0.209 . . . . 2.34 111.564 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -37.18 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 2.89 110.639 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.24 68.27 3.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.122 0.487 . . . . 4.42 110.218 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -58.1 -73.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 4.87 111.031 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 pt -94.83 118.74 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 4.56 111.171 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.14 -32.87 3.17 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.131 -0.557 . . . . 2.87 111.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -53.68 -21.29 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.062 0.393 . . . . 4.4 112.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.92 -44.94 1.76 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.687 0.28 . . . . 3.0 111.259 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.64 -52.83 63.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.359 -0.382 . . . . 2.94 110.385 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.2 mt -56.79 -45.51 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 2.47 110.18 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.0 -47.66 74.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 3.13 110.146 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 86' ' ' GLN . 0.7 OUTLIER -58.05 -49.67 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 3.09 110.064 178.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -57.31 -51.27 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 4.43 111.052 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -61.12 -39.52 90.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 1.9 110.562 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -32.71 73.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.97 110.441 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -49.79 66.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.715 -0.675 . . . . 2.72 109.837 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 34.7 t80 -56.63 -49.76 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.787 -0.642 . . . . 1.19 109.779 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 88' ' ' LEU . 87.4 t -52.19 -51.14 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.37 110.344 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.93 -53.62 46.75 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.681 -0.489 . . . . 1.71 109.681 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -49.08 -55.67 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 2.46 110.286 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -53.23 -48.28 68.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.68 -0.691 . . . . 2.64 110.447 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.525 -0.762 . . . . 2.86 110.808 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 96' ' ' LYS . 1.5 tt0 -58.18 -49.61 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 3.03 110.707 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.76 -46.72 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 2.38 110.471 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -59.42 -47.1 86.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 4.07 110.117 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -55.19 -52.68 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.957 -0.565 . . . . 3.33 110.503 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.44 -48.16 74.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.367 -0.379 . . . . 2.59 110.5 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.16 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.458 . . . . 2.24 111.243 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.05 94.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.959 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.89 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 2.74 110.5 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.562 HH21 ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -56.9 -50.65 71.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 4.42 110.551 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.22 91.8 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.831 -0.7 . . . . 3.27 112.633 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 4.07 110.686 -179.805 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.3 p80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.506 0.193 . . . . 4.11 111.409 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -61.31 -34.88 75.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.732 -0.387 . . . . 3.73 110.041 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -51.5 -50.63 59.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.408 -0.36 . . . . 1.14 110.2 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.772 -0.371 . . . . 2.77 110.369 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -52.72 64.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.305 -0.407 . . . . 4.35 110.52 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 1.006 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 2.3 m-20 -55.43 -45.58 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 2.1 109.999 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.418 ' SD ' ' NH2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.02 -52.88 59.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 2.23 110.026 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -52.06 -55.02 23.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.083 -0.508 . . . . 2.46 110.482 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.006 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 4.3 p30 -53.06 -41.93 65.31 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.167 0.508 . . . . 2.49 109.753 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HG3' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tp10 -60.98 -60.94 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 3.07 110.05 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.971 ' OE2' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.54 -35.84 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.371 -0.603 . . . . 2.5 109.371 177.741 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 24.5 m -63.64 -37.45 87.39 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.953 -0.567 . . . . 1.59 109.656 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.885 ' CE3' ' CD2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -44.71 -44.82 9.44 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.1 -0.333 . . . . 2.24 110.1 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.736 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -57.18 -51.28 71.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.325 -0.398 . . . . 1.92 110.485 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -53.56 -46.79 70.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.415 -0.357 . . . . 3.58 111.002 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.94 -45.91 91.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 3.45 110.625 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -61.79 -48.71 79.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 2.77 110.95 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -60.01 -38.44 82.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.477 -0.329 . . . . 3.62 110.664 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.26 -40.64 86.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.888 0.375 . . . . 3.19 110.139 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -48.98 77.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.876 -0.602 . . . . 3.08 110.749 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 26' ' ' LYS . 12.0 t -58.16 -37.89 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.04 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -80.28 -22.24 41.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.548 . . . . 3.01 111.662 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -76.85 -51.44 11.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 3.19 111.085 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CD ' HH12 ' A' ' 105' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.988 -0.551 . . . . 4.37 110.415 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.783 0.325 . . . . 4.24 110.678 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -65.92 -48.57 70.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 3.83 110.12 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.2 -49.89 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 4.27 109.902 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.87 62.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.15 -0.477 . . . . 5.49 110.495 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -61.75 -46.17 90.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.297 -0.41 . . . . 4.3 110.179 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.81 -49.15 74.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.535 . . . . 4.17 110.021 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -50.01 -54.16 21.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.935 -0.575 . . . . 3.6 110.483 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -44.24 62.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 3.17 110.408 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.516 ' HE ' ' CD ' ' A' ' 55' ' ' GLU . 4.0 tpt180 -59.16 -41.55 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.082 -0.508 . . . . 4.13 110.213 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' HD23 ' A' ' 56' ' ' LEU . 44.5 mt -64.04 -50.45 68.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 2.9 109.927 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -49.87 -44.49 49.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.17 110.497 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.61 56.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.219 -0.446 . . . . 1.35 110.475 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.516 ' CD ' ' HE ' ' A' ' 51' ' ' ARG . 31.9 mt-10 -54.94 -47.43 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 2.6 110.515 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 52' ' ' LEU . 3.6 mm? -53.66 -44.85 69.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.875 -0.602 . . . . 2.67 111.141 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 1.37 111.297 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.09 40.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 1.43 111.163 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 1.243 ' CE1' HD11 ' A' ' 63' ' ' ILE . 8.1 t-80 -75.69 -21.12 57.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.031 -0.532 . . . . 2.61 111.159 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -66.8 -61.76 4.61 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.478 -0.564 . . . . 3.01 109.478 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 54.0 Cg_exo -52.69 -41.81 66.75 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.336 2.024 . . . . 1.6 111.459 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.73 66.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.669 -0.696 . . . . 1.31 111.408 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.243 HD11 ' CE1' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -55.84 -52.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 1.08 110.115 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -54.51 -51.79 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 3.27 110.337 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.63 28.89 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.769 -0.729 . . . . 1.14 111.926 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.5 t -57.22 -54.81 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 CA-C-O 120.985 0.421 . . . . 1.46 110.313 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.81 -50.2 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 2.13 110.884 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.13 -48.61 75.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.622 -0.263 . . . . 2.24 110.882 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 m -58.94 -50.92 72.23 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.172 -0.307 . . . . 1.02 110.172 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.01 69.22 Favored Glycine 0 C--N 1.336 0.58 0 C-N-CA 120.213 -0.994 . . . . 0.79 110.9 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -34.17 76.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.085 0.469 . . . . 3.25 109.92 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -51.82 68.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.998 -0.547 . . . . 3.71 110.342 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -36.88 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 1.52 110.422 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.473 ' HA ' ' HG3' ' A' ' 81' ' ' LYS . 19.7 m -63.18 -46.48 86.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.783 -0.644 . . . . 1.76 111.361 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -60.49 -34.52 74.17 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.617 -0.433 . . . . 2.34 109.846 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -71.74 -32.74 68.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 2.89 109.925 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 79.01 37.86 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.458 -0.792 . . . . 4.42 110.639 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 p -74.49 143.18 44.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 4.87 110.825 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.38 113.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . 4.56 110.669 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.84 -21.34 5.6 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.167 -0.539 . . . . 2.87 111.811 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HG3' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.26 -45.38 34.37 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 111.493 0.182 . . . . 4.4 111.493 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -55.0 -56.48 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 3.0 110.917 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.95 -46.02 74.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 2.94 110.229 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.6 -48.85 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 2.47 110.947 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.62 -43.75 76.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 3.13 110.515 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -49.55 76.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.994 0.426 . . . . 3.09 109.917 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH2' ' SD ' ' A' ' 16' ' ' MET . 8.7 mtp180 -58.28 -50.45 73.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.907 -0.588 . . . . 4.43 110.472 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -55.13 -43.41 74.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.05 -0.523 . . . . 1.9 110.509 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.48 77.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.97 110.439 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -47.86 83.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 2.72 109.852 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.971 ' CD1' ' OE2' ' A' ' 20' ' ' GLU . 81.4 t80 -52.94 -50.57 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 1.19 110.393 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 88' ' ' LEU . 43.3 t -55.24 -52.77 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.48 -0.327 . . . . 1.37 110.345 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.887 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -49.56 -52.96 26.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.278 -0.419 . . . . 1.71 110.113 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.887 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 12.2 m-70 -54.5 -56.98 13.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.791 -0.448 . . . . 2.46 109.791 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.442 ' CH2' ' NZ ' ' A' ' 99' ' ' LYS . 6.9 t90 -44.66 -43.65 8.46 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 2.64 111.496 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -53.3 -53.52 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 2.86 110.786 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HG2' ' N ' ' A' ' 98' ' ' LEU . 1.9 pt-20 -56.67 -43.6 80.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.459 -0.337 . . . . 3.03 111.102 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.551 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -62.41 -45.86 91.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 2.38 110.856 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.442 ' NZ ' ' CH2' ' A' ' 95' ' ' TRP . 2.0 tttp -59.0 -45.2 91.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.634 -0.506 . . . . 4.07 109.634 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -55.25 37.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.142 -0.481 . . . . 3.33 109.841 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -47.61 -49.24 27.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.211 -0.449 . . . . 2.59 110.498 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -52.18 39.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.963 0.411 . . . . 2.24 110.548 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.69 68.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.059 -0.519 . . . . 2.56 110.5 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.89 65.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.965 -0.561 . . . . 2.74 110.445 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.513 HH12 ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -52.48 -50.59 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 4.42 110.166 179.348 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.21 -41.51 70.5 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 3.27 112.192 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 4.07 110.579 179.524 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.457 0.17 . . . . 4.11 110.694 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -42.98 95.04 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.701 -0.481 . . . . 3.73 109.701 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -49.42 -53.73 21.23 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.508 -0.552 . . . . 1.14 109.508 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -52.58 -45.11 66.32 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.72 -0.474 . . . . 2.77 109.72 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 1.023 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.28 -53.49 55.45 Favored 'General case' 0 C--N 1.334 -0.08 0 N-CA-C 109.739 -0.467 . . . . 4.35 109.739 178.556 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.815 ' HA ' ' CG ' ' A' ' 18' ' ' ASP . 3.1 m-20 -52.81 -48.38 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.538 -0.541 . . . . 2.1 109.538 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.6 mtp -51.32 -56.6 12.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.075 -0.511 . . . . 2.23 110.217 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -53.86 -46.91 71.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.134 -0.485 . . . . 2.46 110.002 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.023 ' OD2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -50.86 -48.11 60.24 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.544 -0.539 . . . . 2.49 109.544 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 3.9 tp10 -60.82 -57.97 10.43 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.02 -0.733 . . . . 3.07 109.02 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.51 -38.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.58 -0.737 . . . . 2.5 109.999 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -44.95 95.8 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.022 -0.536 . . . . 1.59 110.106 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.608 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 18.2 t90 -48.97 -45.38 42.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.171 -0.468 . . . . 2.24 109.883 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.023 HG23 HD11 ' A' ' 98' ' ' LEU . 96.5 mt -46.58 -60.02 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.98 0.419 . . . . 1.92 110.089 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -42.11 63.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 3.58 110.951 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.62 -49.54 77.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 3.45 111.072 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.92 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.36 . . . . 2.77 110.194 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -53.75 -41.64 67.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.92 -0.4 . . . . 3.62 109.92 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -67.1 -38.26 85.35 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.107 -0.497 . . . . 3.19 109.945 179.262 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.08 -45.67 86.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.011 -0.541 . . . . 3.08 110.083 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 105' ' ' ARG . 73.7 t -51.46 -50.79 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 2.48 109.881 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -37.59 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 3.01 110.291 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.8 m -61.65 -49.92 74.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.862 -0.608 . . . . 3.19 110.611 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.421 . . . . 4.37 110.587 179.615 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.69 0.281 . . . . 4.24 110.524 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.63 -39.12 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 3.83 110.305 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -64.33 -55.91 18.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.068 -0.515 . . . . 4.27 109.644 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -52.44 -31.86 36.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.773 -0.649 . . . . 5.49 109.967 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -53.99 43.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 4.3 110.244 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -59.16 -38.54 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 4.17 109.801 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -55.52 33.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 3.6 110.477 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.9 70.02 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.336 -0.393 . . . . 3.17 110.614 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' NH2' ' OE2' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -60.31 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 4.13 109.989 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 102' ' ' ALA . 9.0 mt -61.03 -43.69 98.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 2.9 110.234 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.46 79.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.082 -0.508 . . . . 3.17 110.475 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.46 95.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.082 0.468 . . . . 1.35 109.786 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.732 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -55.12 -54.98 36.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 2.6 110.652 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.26 -41.36 96.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.981 -0.554 . . . . 2.67 112.234 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.18 -52.36 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.929 0.395 . . . . 1.37 111.426 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -30.85 37.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.526 . . . . 1.43 112.076 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.712 ' CD2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.07 -25.86 65.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 112.842 0.682 . . . . 2.61 112.842 -178.494 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.588 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -63.03 -62.97 4.68 Favored Pre-proline 0 C--N 1.322 -0.621 0 C-N-CA 118.94 -1.104 . . . . 3.01 108.993 179.302 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.588 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.2 Cg_exo -63.08 -36.54 58.2 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.114 1.876 . . . . 1.6 112.64 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -54.2 8.51 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.641 0.608 . . . . 1.31 112.641 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.712 HD11 ' CD2' ' A' ' 59' ' ' HIS . 3.1 mm -63.7 -46.96 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.386 -0.37 . . . . 1.08 110.847 -179.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -49.18 78.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.737 -0.468 . . . . 3.27 109.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.64 -52.85 14.22 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.085 -0.578 . . . . 1.14 112.599 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 117.205 0.503 . . . . 1.46 110.295 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.47 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -53.84 -50.75 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 2.13 111.129 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.94 -47.53 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 2.24 110.84 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.6 m -59.18 -51.65 69.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.423 -0.353 . . . . 1.02 110.091 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.82 82.85 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.473 -0.87 . . . . 0.79 111.637 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -46.64 65.33 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.979 -0.378 . . . . 3.25 109.979 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -55.61 -58.22 8.7 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.038 -0.528 . . . . 3.71 110.167 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.3 mp -45.04 -38.5 4.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 1.52 111.008 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -32.53 72.95 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.345 0.868 . . . . 1.76 113.345 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -51.42 -24.03 4.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.357 0.502 . . . . 2.34 112.357 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 145.57 -37.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.889 0.476 . . . . 2.89 110.868 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -56.74 152.0 13.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.576 . . . . 4.42 111.345 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m 64.26 108.83 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.771 -0.649 . . . . 4.87 111.561 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.41 146.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.143 -0.48 . . . . 4.56 110.479 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.556 ' O ' ' OE1' ' A' ' 83' ' ' GLU . . . 91.64 -2.01 76.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 2.87 111.886 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -42.26 -45.21 4.09 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 122.1 0.16 . . . . 4.4 111.374 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 82' ' ' GLU . 11.2 mm-40 -52.4 -57.58 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 3.0 110.941 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -53.38 -47.0 69.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.065 0.459 . . . . 2.94 109.823 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.08 -46.3 84.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 2.47 110.175 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.78 -44.44 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.755 -0.657 . . . . 3.13 110.436 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.57 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 3.09 109.849 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -47.5 76.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.867 -0.606 . . . . 4.43 110.634 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.8 tp -57.91 -46.35 85.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 1.9 110.151 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.23 70.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.914 -0.585 . . . . 0.97 110.213 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.47 -47.24 73.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.572 -0.74 . . . . 2.72 109.903 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 7.6 t80 -54.22 -47.92 71.63 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.148 -0.478 . . . . 1.19 109.748 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.0 t -53.62 -53.03 28.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.27 -0.423 . . . . 1.37 109.928 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -50.54 58.64 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.536 -0.542 . . . . 1.71 109.536 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -51.43 -58.4 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.798 -0.637 . . . . 2.46 110.085 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 98' ' ' LEU . 10.7 t90 -52.32 -43.85 64.76 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.184 -0.462 . . . . 2.64 110.834 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -51.84 59.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 2.86 110.461 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.84 -47.51 82.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 3.03 110.442 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.023 HD11 HG23 ' A' ' 23' ' ' ILE . 15.3 mt -56.87 -45.07 82.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 2.38 111.027 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -57.28 -49.63 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 4.07 110.073 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -59.72 -50.49 73.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.897 0.379 . . . . 3.33 110.12 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.5 tp -51.87 -46.07 64.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 2.59 110.527 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -53.54 -52.22 60.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 2.24 110.794 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.79 65.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.137 -0.483 . . . . 2.56 110.876 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.83 87.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 2.74 110.832 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.688 ' HG3' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.89 -42.11 75.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 4.42 110.326 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.39 98.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.004 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.785 0.326 . . . . 4.07 110.316 179.643 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.491 ' ND1' ' N ' ' A' ' 11' ' ' GLN . 20.6 p80 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 111.809 0.3 . . . . 4.11 111.809 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.491 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 1.2 mm100 -64.27 -37.48 87.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 3.73 110.496 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -57.17 -44.83 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 1.14 110.034 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -51.97 67.02 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.837 -0.431 . . . . 2.77 109.837 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NH1' ' HA ' ' A' ' 15' ' ' ASP . 5.2 tmm_? -55.71 -49.07 74.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.04 -0.527 . . . . 4.35 109.714 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.461 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 2.2 m-20 -50.35 -54.13 23.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.578 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.1 ttp -54.13 -52.36 61.32 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.869 0.366 . . . . 2.23 110.451 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -54.49 -44.95 73.11 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.582 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.48 -46.66 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.532 -0.304 . . . . 2.49 110.871 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' OE2' ' CZ ' ' A' ' 91' ' ' PHE . 2.6 tm-20 -66.42 -57.8 6.64 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.174 -0.676 . . . . 3.07 109.174 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 1.29 ' OE1' ' HB2' ' A' ' 91' ' ' PHE . 1.1 tp10 -47.56 -36.2 10.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.955 -0.566 . . . . 2.5 109.808 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.456 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -65.71 -46.5 78.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.811 -0.631 . . . . 1.59 109.832 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CD1' ' OE2' ' A' ' 25' ' ' GLU . 19.3 t90 -52.72 -42.2 64.65 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.174 -0.467 . . . . 2.24 109.783 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mt -49.32 -56.61 2.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.021 0.438 . . . . 1.92 110.362 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 12.3 mtmm -50.21 -52.14 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 3.58 111.186 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.804 ' OE2' ' CD1' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -54.83 -46.35 74.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.373 . . . . 3.45 111.353 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.647 ' N ' ' HG2' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -63.28 -47.92 80.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.879 -0.328 . . . . 2.77 110.684 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -41.34 43.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.078 0.466 . . . . 3.62 109.934 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.68 -38.26 83.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 3.19 110.12 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -44.53 96.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.646 -0.706 . . . . 3.08 110.995 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -60.14 -45.21 96.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.754 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.412 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 17.4 m -53.03 -34.46 56.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.12 -0.491 . . . . 3.01 110.635 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 m -80.29 -49.12 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 3.19 110.679 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.83 ' HA ' ' OE1' ' A' ' 33' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.116 0 CA-C-N 116.138 -0.483 . . . . 4.37 110.736 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 C--O 1.231 0.123 0 N-CA-C 111.738 0.273 . . . . 4.24 111.738 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.412 ' CG ' ' HZ2' ' A' ' 48' ' ' LYS . 20.9 t-20 -69.63 -32.78 71.68 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.047 -0.353 . . . . 3.83 110.047 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD21 ' O ' ' A' ' 33' ' ' GLU . 16.2 mt -64.7 -57.4 9.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.393 -0.367 . . . . 4.27 110.289 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -39.2 76.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.915 -0.314 . . . . 5.49 111.215 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -64.57 -47.93 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 4.3 110.089 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HZ2' ' CG ' ' A' ' 44' ' ' ASN . 11.8 mttp -62.01 -40.82 96.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 4.17 110.081 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.91 71.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 3.6 110.236 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -52.15 -41.58 62.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.824 0.345 . . . . 3.17 110.344 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.44 HH11 ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.25 -42.64 88.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 4.13 109.876 179.053 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.34 -49.65 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 2.9 110.447 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.75 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 3.17 110.489 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.36 92.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 1.35 110.156 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.19 -56.33 22.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.597 -0.729 . . . . 2.6 110.602 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.02 -40.34 66.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 2.67 111.616 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -63.0 -50.05 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 1.37 111.19 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.39 -29.79 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.63 0.604 . . . . 1.43 112.63 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 32.3 m-70 -68.33 -49.29 61.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.828 -0.349 . . . . 2.61 110.895 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 3.4 tp10 -38.81 -60.93 1.0 Allowed Pre-proline 0 N--CA 1.463 0.225 0 O-C-N 123.243 0.339 . . . . 3.01 110.685 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 71.5 Cg_exo -38.81 -47.75 2.74 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.839 1.693 . . . . 1.6 111.86 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.879 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -80.47 -28.59 37.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.942 -0.572 . . . . 1.31 112.151 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.504 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 1.3 mm -65.33 -45.6 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.175 -0.676 . . . . 1.08 109.175 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -73.8 -41.13 62.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.244 -1.021 . . . . 3.27 108.244 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.83 -41.17 35.54 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.32 -0.855 . . . . 1.14 111.505 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 62' ' ' ALA . 58.5 t -59.18 -57.85 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 109.488 -0.56 . . . . 1.46 109.488 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.97 -49.12 60.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 2.13 110.19 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.03 -51.55 63.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.716 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 m -56.48 -50.61 71.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.609 -0.515 . . . . 1.02 109.609 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.0 46.64 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 120.415 -0.897 . . . . 0.79 111.213 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -39.14 80.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.638 -0.504 . . . . 3.25 109.638 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -48.93 79.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.565 . . . . 3.71 109.759 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mp -52.31 -43.39 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 1.52 109.779 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.6 t -54.65 -49.35 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 1.76 112.482 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -40.19 96.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.663 0.616 . . . . 2.34 112.663 -177.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.15 -27.98 38.95 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.651 -0.42 . . . . 2.89 111.954 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.5 152.98 12.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.894 0.378 . . . . 4.42 111.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -127.95 34.79 4.55 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.221 -0.445 . . . . 4.87 111.195 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.9 mt -92.01 59.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.037 0.446 . . . . 4.56 110.312 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.569 ' HA2' ' OE2' ' A' ' 83' ' ' GLU . . . 135.61 -8.24 4.28 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.867 -0.606 . . . . 2.87 112.043 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -47.01 -59.31 3.2 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.681 0.277 . . . . 4.4 110.96 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -40.14 -59.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 3.0 111.345 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.569 ' OE2' ' HA2' ' A' ' 80' ' ' GLY . 0.3 OUTLIER -54.48 -47.4 73.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.027 0.442 . . . . 2.94 110.443 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.1 mm -55.92 -44.82 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 2.47 110.502 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -49.67 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 3.13 110.733 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -55.1 -51.16 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.254 -0.43 . . . . 3.09 110.362 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.09 78.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 4.43 110.627 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.4 tp -55.75 -37.9 69.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 1.9 110.626 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.97 110.604 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.39 -45.64 75.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 2.72 109.855 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 1.29 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 27.9 t80 -55.72 -50.35 70.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.686 -0.688 . . . . 1.19 110.376 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.84 -50.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 1.37 110.212 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.13 -50.0 62.59 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.409 -0.36 . . . . 1.71 110.209 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.48 -55.33 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 2.46 109.884 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -51.12 -48.71 61.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.809 -0.632 . . . . 2.64 110.038 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -52.96 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.429 -0.805 . . . . 2.86 111.189 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.6 -42.99 84.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.801 0.334 . . . . 3.03 110.388 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -59.23 -48.7 80.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 2.38 110.278 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -57.49 -48.93 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.635 . . . . 4.07 110.228 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 3.33 110.326 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.33 -46.98 73.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.266 -0.425 . . . . 2.59 109.985 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.05 -51.09 59.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 2.24 110.491 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.29 -50.98 61.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.027 -0.533 . . . . 2.56 110.621 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.87 79.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.968 -0.56 . . . . 2.74 110.236 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -41.04 82.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 4.42 110.218 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.22 -39.22 63.64 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.9 -0.667 . . . . 3.27 111.927 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 120.945 0.402 . . . . 4.07 109.999 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.5 t60 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.562 0.22 . . . . 4.11 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -57.87 -46.86 84.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.32 0.581 . . . . 3.73 109.604 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -48.51 -42.98 34.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.666 -0.697 . . . . 1.14 110.612 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.82 -50.51 66.0 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.934 -0.395 . . . . 2.77 109.934 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -47.68 85.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.53 -0.545 . . . . 4.35 109.53 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.63 -49.24 38.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 2.1 110.769 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 13.3 mtm -59.16 -52.28 66.37 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.091 0.472 . . . . 2.23 110.178 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -54.23 -43.79 71.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.038 -0.356 . . . . 2.46 110.038 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -46.44 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 2.49 110.959 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 16' ' ' MET . 16.9 pt-20 -65.09 -53.39 46.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.625 -0.509 . . . . 3.07 109.625 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.542 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -47.96 -43.43 29.35 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.447 -0.575 . . . . 2.5 109.447 177.698 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.461 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 2.3 t -59.64 -50.41 73.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.18 -0.464 . . . . 1.59 109.892 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 31.0 t90 -50.35 -45.82 55.3 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 110.065 -0.346 . . . . 2.24 110.065 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 98' ' ' LEU . 4.3 mt -49.31 -58.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 120.806 0.336 . . . . 1.92 110.184 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' A' ' 21' ' ' SER . 8.0 mtmp? -49.15 -49.91 40.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 3.58 110.975 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.63 -47.91 75.83 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.968 -0.56 . . . . 3.45 111.33 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.86 -45.16 90.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.998 -0.371 . . . . 2.77 109.998 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -48.83 -42.3 35.75 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.664 -0.495 . . . . 3.62 109.664 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.4 tm? -57.12 -43.8 82.67 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.01 -0.541 . . . . 3.19 110.012 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.693 HD13 HH22 ' A' ' 51' ' ' ARG . 35.9 mt -55.31 -43.52 74.92 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.026 -0.534 . . . . 3.08 110.304 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 t -53.96 -39.08 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.971 0.415 . . . . 2.48 110.009 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -27.49 65.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.603 -0.726 . . . . 3.01 110.918 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.7 ' OG ' ' OE2' ' A' ' 33' ' ' GLU . 4.5 p -80.86 -35.27 32.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 3.19 110.982 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.7 ' OE2' ' OG ' ' A' ' 32' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 CA-C-N 115.899 -0.592 . . . . 4.37 111.938 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.727 0.299 . . . . 4.24 110.849 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -64.96 -32.49 74.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 3.83 110.306 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 45' ' ' LEU . 9.7 tp -65.22 -60.57 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 4.27 110.111 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH2' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 5.49 110.075 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -50.5 67.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.711 -0.677 . . . . 4.3 110.368 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -59.4 -43.96 92.89 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.467 -0.568 . . . . 4.17 109.467 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 2.2 m-70 -51.01 -53.96 28.76 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.8 -0.636 . . . . 3.6 110.827 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -49.06 -46.36 44.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.879 0.371 . . . . 3.17 110.827 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.693 HH22 HD13 ' A' ' 29' ' ' LEU . 1.4 mtp85 -67.91 -34.31 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 4.13 110.435 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.0 -42.45 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 2.9 110.358 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.723 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -56.15 -51.5 67.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.032 -0.358 . . . . 3.17 110.032 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.49 74.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.216 0.532 . . . . 1.35 109.82 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 22.5 mt-10 -52.24 -53.46 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.376 -0.829 . . . . 2.6 110.499 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 32.0 tp -51.23 -44.72 61.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.998 -0.546 . . . . 2.67 111.176 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.73 23.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 1.37 111.524 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -35.28 29.72 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.506 0.558 . . . . 1.43 112.506 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.619 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 50.0 m80 -62.49 -31.07 71.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.554 0.216 . . . . 2.61 111.506 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.569 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -61.5 -65.34 2.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 C-N-CA 119.623 -0.831 . . . . 3.01 110.414 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.1 Cg_exo -59.14 -40.07 73.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.621 1.547 . . . . 1.6 113.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.75 -50.95 12.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.952 0.723 . . . . 1.31 112.952 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -76.78 -39.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.147 0.425 . . . . 1.08 112.147 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 97.0 mt-30 -66.18 -48.16 71.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 120.251 -0.58 . . . . 3.27 109.969 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.58 -49.38 8.66 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.535 -0.84 . . . . 1.14 112.014 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.524 HG21 ' OE1' ' A' ' 19' ' ' GLU . 66.1 t -62.28 -57.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.808 0.299 . . . . 1.46 111.808 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.577 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -53.32 -43.35 67.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.091 -0.244 . . . . 2.13 111.224 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.54 -50.38 73.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.637 -0.256 . . . . 2.24 110.982 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 m -62.47 -48.41 79.73 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.908 -0.405 . . . . 1.02 109.908 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.84 -43.09 60.47 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.478 -0.868 . . . . 0.79 111.331 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -61.66 -37.93 85.88 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 110.065 -0.346 . . . . 3.25 110.065 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.046 -0.524 . . . . 3.71 110.25 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.88 -42.25 79.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.122 0.487 . . . . 1.52 109.792 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 m -60.97 -48.55 81.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.58 -0.736 . . . . 1.76 111.121 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -51.49 -41.23 60.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.882 0.372 . . . . 2.34 110.511 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.574 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 3.2 m-20 -76.88 -32.14 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.862 -0.608 . . . . 2.89 110.11 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.3 t30 77.29 59.6 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.697 -0.683 . . . . 4.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 133.12 44.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 4.87 110.359 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.41 96.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 4.56 110.401 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.92 -16.41 4.23 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.87 112.095 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 84' ' ' ILE . 21.0 pttm -42.61 -41.1 2.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.622 0.248 . . . . 4.4 111.502 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -52.43 -53.41 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.379 . . . . 3.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -45.15 85.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.141 0.496 . . . . 2.94 109.806 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 81' ' ' LYS . 52.3 mt -53.21 -45.95 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 2.47 110.358 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -51.56 -49.23 62.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 3.13 109.919 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 6.3 tp60 -55.62 -48.84 74.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.326 -0.397 . . . . 3.09 110.113 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -54.68 -51.06 66.68 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.073 -0.512 . . . . 4.43 110.417 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.16 -35.49 75.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 1.9 109.928 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 86' ' ' GLN . . . -57.35 -30.01 64.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.001 -0.545 . . . . 0.97 110.95 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.68 -48.92 62.7 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.314 -0.403 . . . . 2.72 109.947 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 3.7 t80 -53.78 -46.89 71.16 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.119 -0.697 . . . . 1.19 109.119 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.31 -54.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.739 -0.664 . . . . 1.37 110.421 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.956 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.98 -48.53 43.24 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 109.573 -0.528 . . . . 1.71 109.573 179.068 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.956 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -52.02 -59.57 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.522 -0.547 . . . . 2.46 109.522 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.499 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 22.3 t90 -45.69 -46.61 14.91 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.864 -0.607 . . . . 2.64 109.853 178.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.11 -51.35 32.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.411 -0.813 . . . . 2.86 110.676 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.707 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -54.21 -48.75 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 3.03 110.552 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.494 HD11 HG23 ' A' ' 23' ' ' ILE . 7.9 mt -55.92 -45.51 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 2.38 110.277 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -56.68 -51.81 67.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.001 -0.545 . . . . 4.07 109.782 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.456 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.72 -52.89 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 3.33 110.136 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mp -51.09 -48.16 61.73 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.264 -0.425 . . . . 2.59 110.611 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.16 66.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.24 -0.436 . . . . 2.24 110.883 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.98 98.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 2.56 110.774 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.65 82.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 2.74 110.926 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -59.7 -47.74 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 4.42 110.986 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.91 92.68 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.713 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.768 0.318 . . . . 4.07 111.176 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 t60 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.494 0.188 . . . . 4.11 111.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -60.5 -49.5 77.29 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.907 -0.405 . . . . 3.73 109.907 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 73' ' ' LEU . 25.3 t80 -50.94 -32.92 22.35 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 109.396 -0.594 . . . . 1.14 109.396 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.92 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -52.76 -46.84 67.69 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.504 -0.925 . . . . 2.77 108.504 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.718 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 3.5 tpt180 -59.87 -48.43 81.72 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.196 -1.039 . . . . 4.35 108.196 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -51.41 -42.26 61.34 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.805 -0.634 . . . . 2.1 109.928 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.8 -56.22 19.46 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.357 -0.609 . . . . 2.23 109.357 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.06 -47.21 71.89 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.664 -0.865 . . . . 2.46 108.664 177.732 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 99.7 m-20 -51.01 -41.25 59.66 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.794 -0.447 . . . . 2.49 109.794 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 1.206 ' OE2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.0 -66.97 0.31 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.491 0.662 . . . . 3.07 109.367 178.684 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -49.68 -35.12 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.714 -1.13 . . . . 2.5 110.182 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 1.2 m -59.61 -35.52 74.5 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.767 -0.651 . . . . 1.59 109.76 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.645 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 55.8 t-105 -53.77 -59.87 4.05 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.174 -0.676 . . . . 2.24 109.174 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.0 mt -39.12 -53.43 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-N 116.241 -0.436 . . . . 1.92 110.473 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -55.02 -50.65 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.438 . . . . 3.58 110.836 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.43 -42.29 86.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 3.45 111.308 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.386 ' CE ' ' OE2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.37 -44.94 74.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.855 -0.424 . . . . 2.77 109.855 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -41.31 48.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.215 -0.661 . . . . 3.62 109.215 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.97 -47.66 74.27 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.864 -0.607 . . . . 3.19 109.849 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.577 HD22 ' CD ' ' A' ' 55' ' ' GLU . 2.7 tp -55.46 -47.48 76.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.845 -0.616 . . . . 3.08 109.842 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.15 -36.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 2.48 110.266 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -34.72 74.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.895 -0.593 . . . . 3.01 110.338 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -80.28 -38.63 30.43 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.549 . . . . 3.19 109.896 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' CG ' ' HB3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.391 -0.822 . . . . 4.37 112.026 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.946 0.403 . . . . 4.24 109.985 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -66.08 -44.36 84.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 3.83 110.48 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.07 -53.96 48.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.909 -0.404 . . . . 4.27 109.909 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.73 75.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 5.49 110.148 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.563 . . . . 4.3 110.084 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.17 -53.85 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 4.17 109.916 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.29 -47.71 62.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.081 -0.508 . . . . 3.6 110.237 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -45.33 71.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.948 -0.569 . . . . 3.17 110.428 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -59.61 -41.8 91.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.13 -0.487 . . . . 4.13 110.002 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.23 -56.51 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.568 -0.742 . . . . 2.9 110.477 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -45.75 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 3.17 110.359 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.57 81.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 1.35 110.188 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 1.386 ' OE2' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.56 -55.76 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 2.6 110.88 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.15 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.14 -38.3 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 1.37 110.941 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.39 -25.66 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 1.43 111.796 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.645 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 26.5 m80 -72.99 -41.01 64.77 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.503 -0.317 . . . . 2.61 111.217 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -53.99 -61.34 5.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 3.01 111.524 -178.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 44.5 Cg_exo -57.33 -51.32 8.78 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.205 1.937 . . . . 1.6 112.796 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.14 64.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.092 -0.503 . . . . 1.31 112.033 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.5 -57.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.936 -0.574 . . . . 1.08 111.202 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 1.4 mp0 -47.2 -48.93 23.76 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.271 -0.422 . . . . 3.27 110.7 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.61 -55.22 7.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.607 -0.806 . . . . 1.14 112.277 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' HG3' ' A' ' 19' ' ' GLU . 92.0 t -59.0 -50.11 80.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.021 0.438 . . . . 1.46 110.787 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.81 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 2.13 110.848 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -51.97 -49.22 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.24 110.639 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 m -57.96 -51.82 68.05 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.791 0.329 . . . . 1.02 110.503 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.08 -38.04 83.36 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.356 -0.926 . . . . 0.79 111.809 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -63.67 -35.35 80.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.69 -0.485 . . . . 3.25 109.69 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -47.35 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.296 -0.411 . . . . 3.71 109.996 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.558 HD11 ' CD2' ' A' ' 12' ' ' PHE . 1.8 mt -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 1.52 109.474 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.0 m -60.93 -47.97 83.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.215 -0.902 . . . . 1.76 112.032 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -47.48 -59.72 3.04 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.199 -0.455 . . . . 2.34 112.204 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -36.38 61.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.35 . . . . 2.89 111.738 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -54.91 -53.69 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 4.42 111.451 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m 73.86 -65.23 0.36 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.226 -0.443 . . . . 4.87 110.536 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.31 100.05 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 4.56 110.375 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.37 -25.44 2.48 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 111.433 -0.667 . . . . 2.87 111.433 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -46.17 -38.42 8.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.664 0.268 . . . . 4.4 110.97 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.6 -50.89 52.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 3.0 110.722 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -49.42 72.7 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.336 -0.393 . . . . 2.94 110.029 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.68 -49.49 56.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 2.47 110.328 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.31 -49.07 64.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 3.13 110.205 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -49.22 76.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 3.09 110.046 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -51.4 67.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 4.43 110.937 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.538 HD21 HG12 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.93 -38.27 78.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.41 . . . . 1.9 110.107 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.3 69.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.856 -0.611 . . . . 0.97 110.843 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -66.96 -43.34 83.34 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.143 -0.48 . . . . 2.72 110.097 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 19' ' ' GLU . 80.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.571 -0.529 . . . . 1.19 109.571 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 88' ' ' LEU . 18.2 t -53.7 -52.68 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 1.37 109.84 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.7 OUTLIER -46.3 -55.29 7.46 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.164 -0.471 . . . . 1.71 110.337 178.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.629 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 43.7 m80 -54.87 -56.75 16.08 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.815 -0.439 . . . . 2.46 109.815 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.616 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 25.7 t90 -46.05 -42.94 14.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.819 -0.628 . . . . 2.64 110.282 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -59.81 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 2.86 110.391 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.942 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -49.84 -46.08 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 3.03 110.457 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -59.21 -47.11 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.312 -0.404 . . . . 2.38 110.509 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -47.36 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 4.07 110.059 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.65 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 3.33 110.378 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.942 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 24.0 mt -53.34 -46.0 69.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.556 -0.293 . . . . 2.59 110.662 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.46 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 2.24 110.881 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.88 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.595 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.83 75.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.903 -0.589 . . . . 2.74 110.859 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.414 ' HB3' ' CG ' ' A' ' 33' ' ' GLU . 9.6 mmm180 -57.97 -43.35 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 4.42 110.094 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.74 -27.78 20.96 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.844 -0.616 . . . . 3.27 113.144 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 112.032 0.382 . . . . 4.07 112.032 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 4.11 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.27 -42.83 92.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 3.73 110.703 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.732 ' CD2' HD11 ' A' ' 73' ' ' LEU . 41.1 t80 -54.67 -44.84 73.69 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.582 -0.447 . . . . 1.14 110.814 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -49.19 -51.92 29.86 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.569 -0.453 . . . . 2.77 110.003 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -52.76 64.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.35 110.248 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.3 -44.78 54.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.855 0.36 . . . . 2.1 110.721 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.4 tpt -54.93 -58.71 6.51 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.139 -0.482 . . . . 2.23 110.798 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -46.22 81.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.808 -0.357 . . . . 2.46 110.374 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -42.33 71.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.699 0.285 . . . . 2.49 110.396 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 14.7 tt0 -64.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.539 . . . . 3.07 109.597 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' OE2' ' HD2' ' A' ' 94' ' ' HIS . 2.2 tm-20 -46.67 -37.36 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.733 -0.667 . . . . 2.5 109.654 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -51.33 69.76 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.811 -0.632 . . . . 1.59 109.762 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 18.0 t90 -49.58 -45.63 48.06 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 116.272 -0.422 . . . . 2.24 109.963 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.563 HG22 ' N ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -46.48 -56.13 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-O 120.902 0.382 . . . . 1.92 110.528 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.563 ' N ' HG22 ' A' ' 23' ' ' ILE . 2.9 mttp -58.18 -42.35 85.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.32 -0.4 . . . . 3.58 110.825 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.8 -41.7 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 3.45 111.157 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.78 -52.1 61.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.003 -0.279 . . . . 2.77 110.282 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.91 -43.53 63.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.92 0.39 . . . . 3.62 110.782 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.63 -34.24 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 3.19 110.421 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.45 -36.5 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.862 -0.608 . . . . 3.08 110.771 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 26' ' ' LYS . 2.7 t -59.57 -50.15 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 120.966 0.413 . . . . 2.48 110.886 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -51.25 -36.48 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 3.01 111.347 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.01 -53.41 6.44 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.384 0.513 . . . . 3.19 112.384 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 9.4 pt-20 . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 4.37 111.514 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.602 0.239 . . . . 4.24 110.757 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -59.15 -46.23 88.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.526 -0.306 . . . . 3.83 110.48 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD23 ' NZ ' ' A' ' 48' ' ' LYS . 23.5 mt -61.51 -50.53 72.35 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 4.27 110.355 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -55.86 -35.15 66.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.207 -0.452 . . . . 5.49 110.047 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -46.14 91.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.015 -0.539 . . . . 4.3 109.797 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' NZ ' HD23 ' A' ' 45' ' ' LEU . 8.5 mtmt -57.4 -51.65 68.56 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.171 -0.677 . . . . 4.17 109.171 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -48.11 65.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.546 -0.752 . . . . 3.6 110.325 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -46.56 31.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.254 -0.43 . . . . 3.17 110.555 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -40.14 96.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.075 0.464 . . . . 4.13 109.98 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.444 HD22 HH21 ' A' ' 105' ' ' ARG . 4.9 tp -59.38 -49.15 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.654 . . . . 2.9 110.059 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.35 -50.86 49.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.33 -0.396 . . . . 3.17 110.273 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.39 -51.69 61.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.332 -0.394 . . . . 1.35 109.982 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -51.09 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.493 -0.558 . . . . 2.6 109.493 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -39.85 -45.63 1.84 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.594 -0.73 . . . . 2.67 111.305 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.77 88.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.913 0.387 . . . . 1.37 111.049 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.25 -20.77 11.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.43 112.168 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.627 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 17.8 m80 -62.86 -31.04 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.533 0.197 . . . . 2.61 111.533 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.596 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 3.3 mp0 -64.71 -62.45 4.91 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.429 -0.508 . . . . 3.01 110.91 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -56.23 -41.05 80.61 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 121.433 1.422 . . . . 1.6 112.486 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.69 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.168 0.803 . . . . 1.31 113.168 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 59' ' ' HIS . 90.5 mt -76.66 -39.55 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.097 0.406 . . . . 1.08 112.097 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -56.0 -46.81 78.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.362 -0.236 . . . . 3.27 110.362 179.312 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.05 15.88 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 120.358 -0.925 . . . . 1.14 111.214 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.76 -52.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 1.46 109.861 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 tp -51.78 -52.56 48.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 2.13 110.307 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -48.98 67.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 2.24 110.489 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.0 m -56.96 -47.45 80.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.05 0.453 . . . . 1.02 109.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' HA2' ' HG ' ' A' ' 73' ' ' LEU . . . -56.6 -39.38 85.32 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.567 -0.825 . . . . 0.79 111.949 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.661 ' O ' ' OD2' ' A' ' 75' ' ' ASP . 11.0 mtpt -57.05 -40.59 77.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.587 -0.523 . . . . 3.25 109.587 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.695 ' HA ' ' OD2' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -56.47 -44.94 81.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.839 -0.618 . . . . 3.71 110.344 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.732 HD11 ' CD2' ' A' ' 12' ' ' PHE . 10.7 mt -51.39 -51.56 53.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 1.52 109.987 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 m -58.46 -40.78 83.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 1.76 110.405 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.695 ' OD2' ' HA ' ' A' ' 72' ' ' LYS . 19.4 m-20 -57.46 -37.01 72.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.797 -0.638 . . . . 2.34 111.273 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.86 26.21 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.478 -0.328 . . . . 2.89 111.394 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -145.88 121.93 10.74 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.904 0.383 . . . . 4.42 111.097 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 79' ' ' ILE . 5.3 t -67.99 -52.59 33.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 4.87 110.526 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.462 ' N ' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -67.78 101.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.968 -0.56 . . . . 4.56 110.498 179.444 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.04 -38.84 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.008 -0.615 . . . . 2.87 111.743 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -48.36 -41.4 28.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.73 0.3 . . . . 4.4 110.665 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -51.2 -55.62 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 3.0 110.877 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.31 78.0 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.182 0.515 . . . . 2.94 109.943 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.584 HD13 HD12 ' A' ' 73' ' ' LEU . 77.5 mt -52.27 -49.11 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 2.47 110.379 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.2 -47.06 69.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 3.13 110.537 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.05 -49.18 74.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 3.09 110.161 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.752 HH21 HE21 ' A' ' 90' ' ' GLN . 9.7 mmp_? -57.7 -51.42 69.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.058 -0.519 . . . . 4.43 110.498 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 tp -54.32 -41.45 69.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.521 . . . . 1.9 110.088 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.609 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -56.21 -36.81 68.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.97 110.45 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.752 HE21 HH21 ' A' ' 87' ' ' ARG . 3.1 tt0 -64.32 -45.19 88.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 2.72 110.305 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 25.5 t80 -59.79 -46.71 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 1.19 110.526 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -58.37 -44.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.324 -0.398 . . . . 1.37 110.546 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 1.026 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.94 -51.56 56.16 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.589 -0.523 . . . . 1.71 109.589 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 1.026 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.3 m-70 -50.52 -57.9 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 2.46 110.253 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.426 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 10.4 t90 -50.51 -44.83 56.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 2.64 110.833 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 5.2 mtmm -50.5 -49.86 54.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.53 -0.305 . . . . 2.86 110.495 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.38 -49.45 64.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 3.03 110.076 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.53 80.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.38 110.602 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.38 -46.89 79.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.849 -0.426 . . . . 4.07 109.849 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -55.77 24.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.978 -0.556 . . . . 3.33 109.825 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.7 tp -49.22 -50.26 39.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.562 . . . . 2.59 110.097 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.87 -47.76 67.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.072 -0.513 . . . . 2.24 110.337 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.62 67.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.965 -0.561 . . . . 2.56 109.978 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.85 85.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 2.74 110.247 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.444 HH21 HD22 ' A' ' 52' ' ' LEU . 3.8 tmm_? -50.33 -40.13 48.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.944 -0.571 . . . . 4.42 110.032 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.83 -34.67 83.31 Favored Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.81 -0.632 . . . . 3.27 112.224 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 4.07 110.74 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.1 m80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.833 0.349 . . . . 4.11 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.52 -50.75 72.62 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.743 -0.836 . . . . 3.73 108.743 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -48.31 23.0 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.127 -0.694 . . . . 1.14 109.127 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -50.89 -51.1 55.03 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.38 -0.6 . . . . 2.77 109.38 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -57.71 -52.16 66.57 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.676 -0.49 . . . . 4.35 109.676 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.58 -49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.781 -0.451 . . . . 2.1 109.781 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 1.459 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 4.0 ttp -56.62 -52.72 63.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.071 0.462 . . . . 2.23 110.18 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.48 -44.71 62.54 Favored 'General case' 0 C--N 1.335 -0.062 0 N-CA-C 109.608 -0.515 . . . . 2.46 109.608 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -49.47 64.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 2.49 109.408 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 1.459 ' OE1' ' CA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -59.7 -52.08 67.02 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.103 -0.702 . . . . 3.07 109.103 178.154 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.849 ' OE1' ' HA ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -42.53 -48.11 5.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.839 -0.619 . . . . 2.5 109.525 178.714 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -61.83 -49.54 75.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.437 -0.579 . . . . 1.59 109.437 178.468 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.655 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 2.4 t90 -51.05 -38.26 50.43 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.944 -0.571 . . . . 2.24 109.987 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 23' ' ' ILE . 1.9 mm -58.9 -57.27 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 1.92 109.983 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 3.7 mtmm -52.86 -42.88 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.297 0.57 . . . . 3.58 109.918 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.37 -35.73 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.24 -0.891 . . . . 3.45 110.803 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 10.6 tptp -68.26 -42.06 80.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.006 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -56.24 -45.12 80.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.084 -0.507 . . . . 3.62 110.399 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.2 -43.88 92.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.209 0.528 . . . . 3.19 110.503 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.61 -46.9 87.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 3.08 110.742 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG22 ' HZ3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -56.3 -44.11 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.708 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 m -56.32 -34.0 66.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 3.01 111.216 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -76.55 -51.43 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 3.19 111.195 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 4.37 111.371 -179.759 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.744 0.307 . . . . 4.24 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -70.29 -39.32 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 3.83 110.269 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.56 -51.25 66.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 4.27 109.699 179.497 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -53.93 -47.54 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 5.49 110.807 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -62.9 -46.69 86.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 4.3 110.262 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HZ3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.3 -45.48 84.12 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.714 -0.476 . . . . 4.17 109.714 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' HH22 ' A' ' 105' ' ' ARG . 7.5 t-80 -48.4 -54.11 15.25 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.427 . . . . 3.6 110.134 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -46.37 64.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.908 -0.587 . . . . 3.17 109.964 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -69.31 -25.8 64.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 4.13 110.329 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -46.79 85.72 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.101 -0.499 . . . . 2.9 109.929 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.48 -47.7 69.55 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.505 -0.554 . . . . 3.17 109.505 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.28 71.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.88 -0.6 . . . . 1.35 109.953 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.04 -56.72 12.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.803 -0.635 . . . . 2.6 110.442 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.753 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 14.5 mt -55.56 -36.84 67.26 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.285 -0.416 . . . . 2.67 111.216 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -56.92 -36.65 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 1.37 111.406 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.87 -33.59 30.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.309 . . . . 1.43 111.816 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.756 ' O ' HD12 ' A' ' 63' ' ' ILE . 1.5 m80 -73.36 -23.25 60.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 2.61 111.509 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.753 ' OE1' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -68.21 -61.57 3.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.57 -0.286 . . . . 3.01 110.269 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 38.4 Cg_exo -58.67 -34.36 98.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.305 2.003 . . . . 1.6 111.748 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.83 10.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 1.31 111.258 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.0 mt -66.59 -46.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.08 111.157 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.13 -52.77 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 3.27 110.465 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.95 -46.91 32.41 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.745 -0.741 . . . . 1.14 111.69 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.176 HG21 ' OE2' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -61.96 -47.13 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.986 -0.376 . . . . 1.46 109.986 179.454 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 88' ' ' LEU . 7.5 tt -51.8 -52.88 45.85 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.849 -0.426 . . . . 2.13 109.849 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.03 -49.27 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 2.24 110.1 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -51.35 -49.04 62.22 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.372 -0.376 . . . . 1.02 110.338 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 73' ' ' LEU . . . -51.72 -50.48 43.1 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.249 -0.977 . . . . 0.79 111.28 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -57.06 -34.85 68.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.14 0.495 . . . . 3.25 109.687 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -50.64 73.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.649 -0.705 . . . . 3.71 110.439 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' HA2' ' A' ' 70' ' ' GLY . 15.8 mt -49.84 -41.09 44.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.11 0.481 . . . . 1.52 110.405 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -58.55 -48.83 79.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.757 -0.656 . . . . 1.76 111.675 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -38.34 90.75 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.066 -0.254 . . . . 2.34 111.178 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.09 -47.37 86.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.094 0.474 . . . . 2.89 110.324 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -158.11 87.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.67 -0.695 . . . . 4.42 110.078 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.22 136.75 48.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 4.87 111.305 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 mt -141.03 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.763 -0.653 . . . . 4.56 109.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.4 56.85 0.6 Allowed Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.7 -0.682 . . . . 2.87 111.913 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.3 -46.07 3.15 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.843 0.312 . . . . 4.4 111.843 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.9 pm0 -59.08 -49.35 78.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 3.0 110.598 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -53.22 -48.67 67.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.969 0.414 . . . . 2.94 110.246 179.28 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.23 -52.86 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 2.47 110.132 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -51.86 -41.64 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.834 -0.621 . . . . 3.13 110.702 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -61.15 -50.33 73.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 3.09 110.72 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.4 ' NH1' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.79 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 4.43 111.053 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -66.72 -35.8 80.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.976 0.417 . . . . 1.9 110.449 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.507 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -56.37 -39.89 73.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.97 110.434 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -58.4 -48.64 79.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.106 0.479 . . . . 2.72 110.295 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.849 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 2.7 t80 -52.26 -51.65 57.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.619 . . . . 1.19 111.166 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -60.3 -44.84 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.677 -0.409 . . . . 1.37 110.449 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.818 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.3 -50.88 61.31 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.616 0.246 . . . . 1.71 110.46 179.034 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.818 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.5 t-80 -59.06 -50.74 72.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.037 0.446 . . . . 2.46 110.053 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -52.87 -44.04 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.712 -0.676 . . . . 2.64 110.109 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -56.66 18.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 2.86 109.579 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -47.88 -46.84 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 3.03 110.081 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -55.79 29.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.945 -0.57 . . . . 2.38 110.442 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -45.66 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 4.07 109.824 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.95 -53.41 58.31 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.854 -0.612 . . . . 3.33 110.08 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.13 -43.67 52.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.968 -0.56 . . . . 2.59 110.248 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.29 -55.02 32.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 2.24 110.462 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.26 -49.58 52.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 2.56 110.686 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.89 96.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.932 -0.577 . . . . 2.74 110.928 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NE ' ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -58.07 -36.98 73.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 4.42 110.292 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.437 ' N ' ' NE ' ' A' ' 105' ' ' ARG . . . -54.86 -46.26 77.06 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.899 -0.667 . . . . 3.27 112.21 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.817 0.342 . . . . 4.07 110.693 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.649 0.261 . . . . 4.11 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -59.96 -51.61 68.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.834 0.349 . . . . 3.73 110.17 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.685 ' HB2' HD21 ' A' ' 73' ' ' LEU . 52.5 t80 -50.55 -35.39 29.51 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.576 -0.45 . . . . 1.14 110.095 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 1.17 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -49.97 -46.78 52.77 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.859 -0.793 . . . . 2.77 108.859 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 1.069 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -61.66 -50.66 71.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.706 -0.679 . . . . 4.35 109.256 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.432 ' HB3' HG13 ' A' ' 66' ' ' VAL . 1.1 m-20 -49.82 -51.18 41.81 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.945 0.402 . . . . 2.1 110.382 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.511 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -51.25 -56.43 12.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.185 0.516 . . . . 2.23 110.089 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 1.17 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.61 -49.83 69.52 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.069 -0.514 . . . . 2.46 109.857 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.91 -44.26 50.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 2.49 110.464 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.669 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -49.27 -61.95 1.81 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.846 -0.616 . . . . 3.07 111.26 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 6.2 tp10 -64.8 -38.88 92.46 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.536 -0.542 . . . . 2.5 109.536 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -28.13 63.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.599 -0.728 . . . . 1.59 110.102 179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 18.6 t-105 -57.28 -58.53 7.83 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 120.167 -0.613 . . . . 2.24 109.58 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -44.44 -56.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.92 110.538 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -52.57 62.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 3.58 112.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -27.9 68.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.342 -0.39 . . . . 3.45 111.911 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -42.96 39.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.604 -0.517 . . . . 2.77 109.604 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -55.18 -40.91 71.23 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.674 -0.491 . . . . 3.62 109.674 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.67 88.91 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.966 -0.561 . . . . 3.19 110.072 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.44 -46.12 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.948 -0.569 . . . . 3.08 110.067 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -60.22 -43.31 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.543 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -53.65 -36.1 61.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.198 -0.456 . . . . 3.01 110.304 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -77.88 -59.9 2.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.831 -0.622 . . . . 3.19 110.3 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG3' HH21 ' A' ' 51' ' ' ARG . 3.0 tp10 . . . . . 0 N--CA 1.463 0.18 0 CA-C-N 115.868 -0.605 . . . . 4.37 111.359 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.732 0.301 . . . . 4.24 110.476 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -59.86 -47.26 86.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.207 -0.451 . . . . 3.83 110.616 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.45 -48.82 80.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.29 -0.414 . . . . 4.27 109.923 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -52.04 -40.36 60.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 5.49 110.029 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -42.02 92.67 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.905 -0.589 . . . . 4.3 110.012 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HZ2' ' HG3' ' A' ' 48' ' ' LYS . 8.7 tttp -57.04 -46.45 82.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.121 -0.491 . . . . 4.17 110.088 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -54.09 -55.79 24.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.118 -0.492 . . . . 3.6 110.607 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -58.62 -36.13 73.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 3.17 110.504 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.412 HH21 ' HG3' ' A' ' 33' ' ' GLU . 3.0 ttm-85 -69.98 -31.35 69.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.953 -0.567 . . . . 4.13 110.153 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.04 -50.42 73.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 2.9 110.001 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.24 -54.59 24.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 3.17 109.933 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.06 72.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 1.35 110.403 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.898 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.82 -50.38 63.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.831 -0.622 . . . . 2.6 110.541 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 56' ' ' LEU . 8.6 tt -53.54 -41.5 66.48 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.013 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.21 94.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 1.37 110.954 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.22 -20.56 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 1.43 111.412 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 m80 -66.58 -41.6 88.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 2.61 111.836 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -62.91 -60.46 9.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 121.034 -0.266 . . . . 3.01 111.436 -178.614 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.5 Cg_exo -53.14 -42.92 61.32 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.25 1.967 . . . . 1.6 112.434 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 -60.69 3.1 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 1.31 111.854 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.584 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 3.2 mp -63.74 -41.95 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.08 111.158 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -55.79 -45.18 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.573 -0.285 . . . . 3.27 110.459 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.15 -47.78 15.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.671 . . . . 1.14 112.114 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 15' ' ' ASP . 48.1 t -63.07 -51.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.889 0.376 . . . . 1.46 110.183 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.709 HD23 HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -49.37 -55.05 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 2.13 110.251 179.216 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.622 ' N ' HD13 ' A' ' 67' ' ' LEU . 30.7 t70 -50.68 -54.33 23.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.426 . . . . 2.24 110.578 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.4 m -52.3 -47.55 65.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.898 0.38 . . . . 1.02 110.257 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.91 -45.56 49.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.356 -0.926 . . . . 0.79 111.56 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -61.72 -37.84 85.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.05 -0.352 . . . . 3.25 110.05 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 5.2 mmtm -53.1 -46.14 68.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.208 -0.451 . . . . 3.71 110.737 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 12' ' ' PHE . 3.6 mt -50.78 -50.16 56.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.192 0.52 . . . . 1.52 110.066 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 1.76 111.448 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.32 -23.36 62.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 2.34 112.083 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.597 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 23.3 m-20 -82.58 -53.12 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.572 0.212 . . . . 2.89 111.572 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.7 p30 179.82 -32.23 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.616 0.246 . . . . 4.42 110.919 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.413 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 8.9 m -75.57 68.63 2.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.349 -0.387 . . . . 4.87 110.545 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mt -63.03 91.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.24 -0.436 . . . . 4.56 111.178 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.0 30.92 2.42 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.899 -0.591 . . . . 2.87 111.913 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -40.73 -59.41 1.4 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.217 0.451 . . . . 4.4 112.217 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -47.36 -52.35 16.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 3.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.37 -49.91 66.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.36 -0.382 . . . . 2.94 110.728 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.13 -44.86 88.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.992 0.425 . . . . 2.47 110.231 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.06 -46.78 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 3.13 110.789 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -54.27 -54.69 36.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 3.09 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 4.43 111.043 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 92' ' ' VAL . 11.6 tp -64.69 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.412 -0.358 . . . . 1.9 110.773 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.41 72.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.515 -0.311 . . . . 0.97 110.542 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.32 -48.42 64.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 2.72 109.949 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.669 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -57.88 -49.96 74.94 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.845 -0.616 . . . . 1.19 110.031 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 88' ' ' LEU . 4.6 t -60.19 -45.35 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.37 110.009 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -50.75 -51.48 49.77 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.21 -0.45 . . . . 1.71 110.55 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.2 -47.19 77.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.513 0.673 . . . . 2.46 109.469 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.544 ' CZ2' ' HB3' ' A' ' 59' ' ' HIS . 5.4 t-105 -54.49 -36.76 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.926 -1.034 . . . . 2.64 112.154 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -64.9 -47.69 76.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.745 -0.382 . . . . 2.86 110.907 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 2.0 pt-20 -61.9 -36.29 80.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.801 -0.444 . . . . 3.03 109.801 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 3.6 mp -61.55 -56.32 21.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 2.38 110.352 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -53.0 -46.94 68.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.8 -0.444 . . . . 4.07 109.8 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.15 -55.83 26.72 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.18 -0.464 . . . . 3.33 110.362 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.98 -46.58 61.4 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.413 -0.358 . . . . 2.59 110.482 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.11 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 2.24 110.619 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -46.72 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 2.56 110.829 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.7 86.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 2.74 110.646 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -45.0 81.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 4.42 110.466 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.41 -31.72 74.46 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.994 -0.622 . . . . 3.27 112.535 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 4.07 110.552 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.998 0.428 . . . . 4.11 110.213 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -50.1 -48.84 53.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 3.73 110.846 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 21.0 t80 -52.43 -49.84 63.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 120.305 -0.558 . . . . 1.14 109.843 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.88 -49.0 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 2.77 109.731 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -61.67 -50.7 71.45 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.661 -0.699 . . . . 4.35 110.164 179.083 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.93 -44.34 60.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 2.1 110.147 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -60.03 3.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.156 0.503 . . . . 2.23 110.515 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.769 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.827 -0.624 . . . . 2.46 110.162 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 4.2 m-20 -58.48 -42.25 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 2.49 110.534 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HG2' ' CE2' ' A' ' 91' ' ' PHE . 1.6 tp10 -63.17 -55.55 24.15 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.242 -0.651 . . . . 3.07 109.242 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.21 -47.07 17.93 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.037 -0.529 . . . . 2.5 109.89 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 m -59.81 -47.91 83.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.325 -0.398 . . . . 1.59 110.234 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.64 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 7.2 t90 -55.47 -38.86 69.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.287 -0.415 . . . . 2.24 110.651 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG12 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm -63.68 -54.73 28.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 110.026 -0.361 . . . . 1.92 110.026 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -43.19 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.2 0.524 . . . . 3.58 109.723 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.08 -45.14 86.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.558 -0.746 . . . . 3.45 110.124 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.673 ' HG3' ' NE2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -59.78 -46.44 89.18 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.96 -0.564 . . . . 2.77 109.816 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' NZ ' HD22 ' A' ' 101' ' ' LEU . 1.1 tmtm? -54.83 -46.18 74.55 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 3.62 109.837 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.8 -44.09 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 3.19 109.781 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -46.07 89.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 3.08 110.348 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -42.75 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.156 0.503 . . . . 2.48 110.062 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.56 -27.9 63.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.483 -0.78 . . . . 3.01 110.685 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.3 m -74.43 -40.43 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 3.19 110.915 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 4.37 110.722 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.866 0.365 . . . . 4.24 110.625 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -38.17 81.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 3.83 110.147 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.76 -53.55 39.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.719 -0.673 . . . . 4.27 109.5 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -50.36 -43.82 54.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.79 -0.641 . . . . 5.49 110.733 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -63.34 -50.84 68.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 4.3 110.437 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -55.3 -42.7 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.759 -0.46 . . . . 4.17 109.759 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -48.12 -55.22 10.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.325 -0.398 . . . . 3.6 110.133 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -43.78 68.03 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.173 -0.467 . . . . 3.17 110.072 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -33.44 75.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.972 -0.558 . . . . 4.13 110.23 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.901 HD21 ' HB1' ' A' ' 102' ' ' ALA . 16.9 tp -62.5 -52.79 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.749 -0.66 . . . . 2.9 109.849 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.52 -47.06 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 3.17 110.227 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.58 54.72 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.181 -0.463 . . . . 1.35 110.557 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -55.59 -49.07 73.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 2.6 110.052 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -48.59 -45.33 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.443 -0.799 . . . . 2.67 110.955 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -67.27 -42.43 83.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 1.37 111.436 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -26.96 68.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.95 0.352 . . . . 1.43 111.95 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.673 ' NE2' ' HG3' ' A' ' 26' ' ' LYS . 1.7 m80 -71.48 -37.55 71.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.586 -0.279 . . . . 2.61 111.331 -179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -49.58 -62.52 2.42 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 120.9 -0.32 . . . . 3.01 110.457 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 72.7 Cg_exo -49.8 -46.05 29.26 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.67 2.246 . . . . 1.6 112.599 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.58 72.91 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.115 -0.493 . . . . 1.31 111.318 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 59' ' ' HIS . 4.8 mt -80.79 -32.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 1.08 111.473 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.788 ' O ' ' OD2' ' A' ' 68' ' ' ASP . 2.9 mm100 -53.36 -51.87 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 3.27 109.605 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.91 -52.17 22.21 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.518 -0.848 . . . . 1.14 111.375 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.18 -55.9 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 1.46 110.488 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.3 -51.85 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 2.13 111.225 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.788 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 10.7 m-20 -56.61 -46.44 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 2.24 110.934 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 m -62.28 -49.4 75.82 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.81 0.338 . . . . 1.02 110.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.41 -42.75 75.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.72 -0.752 . . . . 0.79 112.0 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -60.52 -42.38 96.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.843 -0.429 . . . . 3.25 109.843 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -48.81 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.794 -0.639 . . . . 3.71 110.932 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 12' ' ' PHE . 4.9 mt -58.48 -41.33 85.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 1.52 110.842 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 m -65.6 -45.89 81.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.059 -0.518 . . . . 1.76 111.73 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -47.68 -43.36 26.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 2.34 111.856 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -88.7 -42.51 11.93 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.913 0.338 . . . . 2.89 111.913 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -75.3 133.3 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.103 0.478 . . . . 4.42 111.859 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -91.27 -74.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.793 -0.64 . . . . 4.87 109.548 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.46 102.61 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.772 -0.649 . . . . 4.56 110.273 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.84 -27.51 3.33 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.97 -0.633 . . . . 2.87 112.004 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -46.17 -46.96 17.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.897 0.379 . . . . 4.4 110.826 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.32 -53.16 59.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 3.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -53.08 -46.72 68.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.35 -0.386 . . . . 2.94 110.186 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.9 mm -55.72 -53.56 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 2.47 110.676 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -41.65 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 3.13 111.035 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -62.42 -47.04 85.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 3.09 110.577 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -61.19 -48.98 79.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.929 0.395 . . . . 4.43 110.211 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 92' ' ' VAL . 57.7 tp -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 1.9 110.097 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.4 -33.44 73.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.97 110.934 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -69.77 -38.82 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 2.72 110.068 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 11.3 t80 -59.43 -49.84 76.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.737 -0.468 . . . . 1.19 109.737 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 88' ' ' LEU . 1.5 t -49.28 -48.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 1.37 110.342 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.21 -56.17 18.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.659 -0.497 . . . . 1.71 109.659 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -50.14 -56.39 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 2.46 110.496 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.461 ' CZ3' HD22 ' A' ' 98' ' ' LEU . 11.1 t-105 -51.82 -46.79 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 2.64 110.368 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -50.29 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 2.86 109.656 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 1.227 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -51.13 -49.73 60.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.835 -0.62 . . . . 3.03 110.253 179.263 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.461 HD22 ' CZ3' ' A' ' 95' ' ' TRP . 9.5 tt -55.84 -49.36 73.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 2.38 110.217 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -51.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 4.07 110.414 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -54.39 -54.16 44.29 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.822 0.344 . . . . 3.33 110.567 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.227 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 1.3 mt -52.77 -44.01 66.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.211 -0.45 . . . . 2.59 110.826 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.901 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -56.01 -49.78 72.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 2.24 110.47 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 2.56 110.376 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.47 -51.12 63.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.917 -0.583 . . . . 2.74 110.334 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -46.17 -47.91 17.6 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.012 -0.54 . . . . 4.42 110.253 179.441 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -53.69 -49.68 56.93 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.772 -0.728 . . . . 3.27 111.62 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.913 0.387 . . . . 4.07 110.182 179.142 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.614 0.245 . . . . 4.11 111.311 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -65.43 -47.84 74.81 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.749 0.309 . . . . 3.73 110.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.34 -39.94 67.58 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.24 -0.584 . . . . 1.14 109.718 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.78 -52.94 16.88 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.362 -0.607 . . . . 2.77 109.362 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.86 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 5.3 ttp85 -59.53 -53.0 63.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.761 -0.654 . . . . 4.35 109.413 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 1.221 ' CA ' ' OD2' ' A' ' 18' ' ' ASP . 5.3 m-20 -47.27 -44.26 22.91 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.001 0.429 . . . . 2.1 110.463 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.645 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.43 -59.55 4.43 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.211 -0.45 . . . . 2.23 109.86 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.03 -45.66 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.568 -0.531 . . . . 2.46 109.568 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.221 ' OD2' ' CA ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -46.53 -42.36 15.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.914 -0.584 . . . . 2.49 110.149 179.089 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.698 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -52.79 -68.81 0.14 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.448 0.642 . . . . 3.07 110.728 179.477 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.72 -37.0 49.11 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.22 -0.9 . . . . 2.5 109.573 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.9 -34.65 77.88 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.577 -0.738 . . . . 1.59 109.724 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.631 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 24.1 t-105 -54.71 -59.65 4.42 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.106 -0.702 . . . . 2.24 109.106 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.8 mm -39.11 -55.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.303 -0.408 . . . . 1.92 110.76 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -56.7 -51.22 69.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.04 0.448 . . . . 3.58 110.999 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -40.85 79.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 3.45 111.842 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -46.95 65.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.844 -0.428 . . . . 2.77 109.844 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.092 0.472 . . . . 3.62 109.887 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -63.91 -45.62 88.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 3.19 109.856 179.471 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.06 -48.09 64.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.575 . . . . 3.08 110.255 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.472 HG22 ' NH2' ' A' ' 51' ' ' ARG . 18.7 t -58.0 -48.68 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.849 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 m -63.07 -26.0 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 3.01 111.646 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 m -76.63 -54.02 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 3.19 110.788 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 4.37 110.664 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.567 ' N ' HE21 ' A' ' 43' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.991 0.424 . . . . 4.24 110.533 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.11 -42.52 89.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 3.83 110.056 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.77 -53.06 62.09 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.317 -0.623 . . . . 4.27 109.317 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -40.05 71.57 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.066 -0.716 . . . . 5.49 109.066 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -46.6 82.88 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.428 -0.806 . . . . 4.3 109.694 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -49.93 74.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.742 -0.663 . . . . 4.17 109.976 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -51.61 -50.06 60.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.659 -0.497 . . . . 3.6 109.659 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -40.43 74.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.972 -0.558 . . . . 3.17 109.745 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' NH2' HG22 ' A' ' 30' ' ' VAL . 21.8 ttp180 -66.54 -32.86 74.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 4.13 109.806 179.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.92 -51.84 67.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.889 -0.596 . . . . 2.9 110.282 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.7 mm-40 -53.0 -51.06 62.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 3.17 109.939 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.5 89.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.968 -0.56 . . . . 1.35 110.045 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.795 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.93 -53.64 46.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.624 -0.717 . . . . 2.6 110.273 179.043 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -35.58 74.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 2.67 111.432 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.99 -42.09 99.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 1.37 110.463 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.45 -23.43 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 1.43 111.546 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.637 ' CD2' ' NE1' ' A' ' 95' ' ' TRP . 17.0 m80 -70.63 -42.94 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 2.61 111.35 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 1.105 ' OE1' ' NE2' ' A' ' 64' ' ' GLN . 2.1 tp10 -56.73 -60.39 9.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 3.01 111.564 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 35.8 Cg_exo -59.41 -48.85 12.11 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.709 1.606 . . . . 1.6 112.608 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.41 -55.31 30.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.108 0.48 . . . . 1.31 111.752 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -58.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.867 -0.606 . . . . 1.08 111.558 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 1.105 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 2.8 mp0 -49.16 -46.78 45.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.5 -0.318 . . . . 3.27 110.493 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.4 -54.02 7.7 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.794 -0.717 . . . . 1.14 112.052 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG12 HD11 ' A' ' 88' ' ' LEU . 63.7 t -58.06 -51.62 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.57 -0.452 . . . . 1.46 110.58 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.87 -51.89 47.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 2.13 111.076 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.689 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 9.6 m-20 -54.12 -50.03 67.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 2.24 110.251 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -57.31 -51.73 68.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.02 110.496 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.89 -42.54 47.05 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.495 -0.86 . . . . 0.79 111.439 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.48 99.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.447 -0.575 . . . . 3.25 109.447 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.884 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 26.9 mmtp -63.97 -33.26 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.613 -0.721 . . . . 3.71 110.681 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mp -61.33 -43.15 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 1.52 109.918 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 -32.36 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.751 -0.659 . . . . 1.76 110.622 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.12 -38.12 81.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.86 -0.609 . . . . 2.34 111.589 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.884 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -94.42 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.427 -0.351 . . . . 2.89 111.357 -179.384 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 173.11 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.946 -0.57 . . . . 4.42 111.099 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -123.03 2.16 9.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 4.87 111.252 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 79' ' ' ILE . 6.7 tp -51.31 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 120.896 0.379 . . . . 4.56 111.319 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 30.34 57.03 0.23 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.54 -0.755 . . . . 2.87 113.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -48.16 29.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.686 0.243 . . . . 4.4 111.451 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.53 -43.68 89.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 3.0 110.723 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 86' ' ' GLN . 1.6 tm-20 -57.06 -50.48 72.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.959 0.409 . . . . 2.94 110.035 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mt -58.19 -45.94 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 2.47 109.84 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -53.88 -50.23 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 3.13 110.99 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.548 ' HG3' ' N ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -59.86 -42.89 94.67 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.683 0.278 . . . . 3.09 110.484 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -59.67 -50.22 74.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 4.43 110.74 179.522 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.672 HD11 HG12 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.32 -40.54 82.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 1.9 110.742 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -30.34 66.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.97 111.39 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.75 -46.2 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 2.72 110.389 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 66.4 t80 -53.79 -48.81 69.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.156 0.503 . . . . 1.19 109.895 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 t -56.54 -49.82 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 1.37 110.212 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -53.12 33.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.843 0.354 . . . . 1.71 110.256 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -53.41 -56.84 13.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 2.46 110.045 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 27.1 t90 -51.79 -44.09 63.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.955 -0.566 . . . . 2.64 110.574 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -49.66 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 2.86 110.462 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.76 -53.23 51.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 3.03 110.488 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.8 mt -54.22 -46.26 72.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.982 -0.553 . . . . 2.38 110.352 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -56.56 -49.3 75.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.422 -0.584 . . . . 4.07 109.422 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.54 19.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.497 -0.774 . . . . 3.33 110.134 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.6 tp -51.89 -52.99 45.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 2.59 110.182 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.74 -46.31 50.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.783 -0.644 . . . . 2.24 111.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.73 -50.99 64.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.754 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.28 85.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.236 -0.438 . . . . 2.74 110.426 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -55.59 -44.1 76.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.886 -0.597 . . . . 4.42 110.12 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.32 27.27 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 115.768 -0.651 . . . . 3.27 112.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 . . . . . 0 C--N 1.332 -0.179 0 N-CA-C 110.163 -0.31 . . . . 4.07 110.163 179.512 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.304 . . . . 4.11 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.02 -44.8 79.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 3.73 110.493 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 43.6 t80 -53.25 -49.81 66.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.355 -0.384 . . . . 1.14 110.867 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.947 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 18.3 m-85 -49.44 -47.42 48.19 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.669 -0.413 . . . . 2.77 109.918 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -59.86 -52.99 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 4.35 109.804 178.687 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 1.125 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 5.4 m-20 -50.54 -45.6 57.0 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.285 -0.416 . . . . 2.1 110.618 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.56 -54.9 41.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.34 -0.391 . . . . 2.23 110.024 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.947 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 1.3 m-20 -53.21 -46.12 68.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.698 -0.482 . . . . 2.46 109.698 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.125 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -52.56 -53.32 47.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.551 -0.295 . . . . 2.49 110.497 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 12.4 pt-20 -60.31 -56.2 24.34 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.888 -0.412 . . . . 3.07 109.888 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 4.3 mm-40 -47.12 -40.26 15.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.431 -0.581 . . . . 2.5 109.431 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -38.23 89.55 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 1.59 110.05 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.415 ' HB3' ' O ' ' A' ' 19' ' ' GLU . 66.2 t90 -54.89 -45.98 74.72 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.553 -0.536 . . . . 2.24 109.553 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mm -50.25 -56.92 2.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.598 0.713 . . . . 1.92 109.116 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -41.45 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.031 -0.986 . . . . 3.58 110.991 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -63.15 -43.35 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 3.45 110.823 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -61.59 -50.07 74.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.725 -0.472 . . . . 2.77 109.725 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -54.69 -46.42 74.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.694 -0.484 . . . . 3.62 109.694 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.21 -35.34 78.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 3.19 110.254 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 51' ' ' ARG . 22.1 tp -58.75 -54.2 49.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 3.08 109.812 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 t -57.71 -37.9 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.239 0.543 . . . . 2.48 109.733 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -66.41 -31.44 72.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.183 -0.917 . . . . 3.01 110.477 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 t -81.92 -30.0 32.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.74 -0.664 . . . . 3.19 111.439 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 4.37 111.669 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.096 0.474 . . . . 4.24 110.069 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.15 -50.98 71.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 3.83 110.569 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.92 -49.3 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.031 -0.359 . . . . 4.27 110.031 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -42.4 62.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 5.49 110.608 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -46.68 89.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.351 -0.386 . . . . 4.3 110.221 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -60.79 -45.44 94.36 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.774 -0.454 . . . . 4.17 109.774 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -50.2 -50.17 50.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.759 -0.655 . . . . 3.6 110.71 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.99 -49.4 50.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.925 0.393 . . . . 3.17 110.658 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.553 ' CZ ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.01 -39.6 82.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 4.13 110.084 179.25 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.03 -52.38 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 2.9 110.205 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.678 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.4 mm-40 -49.17 -44.52 42.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 3.17 110.968 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.23 23.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.06 0.457 . . . . 1.35 110.235 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.8 -39.64 65.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.772 -0.649 . . . . 2.6 110.58 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 2.1 tp -62.19 -50.27 72.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 2.67 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -63.13 -27.77 69.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 1.37 111.92 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.8 53.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.737 0.643 . . . . 1.43 112.737 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.643 ' CD2' ' HE1' ' A' ' 95' ' ' TRP . 28.0 p-80 -75.69 -20.7 58.21 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.554 0.576 . . . . 2.61 112.554 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.605 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -60.69 -62.17 6.5 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 108.364 -0.976 . . . . 3.01 108.364 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 53.1 Cg_exo -58.59 -39.97 78.04 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.578 2.185 . . . . 1.6 111.537 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.86 -45.54 94.13 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.737 -0.665 . . . . 1.31 111.365 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 64' ' ' GLN . 1.2 mp -60.48 -54.51 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.08 109.745 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.503 ' N ' HG22 ' A' ' 63' ' ' ILE . 27.2 tt0 -47.8 -52.21 19.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.888 -0.596 . . . . 3.27 110.627 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.13 -49.21 37.64 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.675 -0.774 . . . . 1.14 112.043 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.3 t -55.9 -50.65 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 1.46 110.468 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.71 -51.19 66.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 2.13 110.622 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.19 -51.15 59.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 2.24 110.914 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.479 ' HB ' ' CD1' ' A' ' 12' ' ' PHE . 2.1 m -61.26 -49.4 77.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.896 0.379 . . . . 1.02 110.301 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.4 -39.86 52.84 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.627 -0.797 . . . . 0.79 111.522 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -44.18 51.34 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.054 0.454 . . . . 3.25 110.013 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -53.89 50.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.67 -0.695 . . . . 3.71 109.941 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.28 -42.89 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 1.52 110.401 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -53.26 53.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 1.76 110.666 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -45.12 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.34 111.385 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.67 43.98 1.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.003 0.371 . . . . 2.89 112.003 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -45.33 134.12 6.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.509 0.195 . . . . 4.42 110.632 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.6 105.76 1.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 4.87 111.132 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.641 HG22 ' N ' ' A' ' 80' ' ' GLY . 70.8 mt 34.67 -109.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.028 -0.533 . . . . 4.56 111.786 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.641 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -31.08 -37.2 0.02 OUTLIER Glycine 0 C--N 1.337 0.604 0 N-CA-C 114.092 0.397 . . . . 2.87 114.092 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -46.9 -36.13 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.93 0.345 . . . . 4.4 111.93 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -48.1 82.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.693 -0.231 . . . . 3.0 111.045 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.1 -49.93 72.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.481 . . . . 2.94 109.945 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -55.58 -51.69 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 2.47 110.284 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -45.22 72.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 3.13 110.96 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 3.09 110.229 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.409 ' NH1' ' SD ' ' A' ' 16' ' ' MET . 28.0 ttp85 -59.6 -50.8 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 4.43 110.173 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -45.0 78.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.992 0.425 . . . . 1.9 110.091 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.795 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -58.13 -38.16 76.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.039 -0.528 . . . . 0.97 110.055 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.31 -44.08 92.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 2.72 109.546 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 9.0 t80 -55.53 -49.48 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 1.19 110.617 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 89' ' ' ALA . 8.6 p -56.25 -46.87 81.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 120.741 -0.384 . . . . 1.37 110.629 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.915 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.26 -52.98 49.47 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.454 -0.573 . . . . 1.71 109.454 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.915 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 7.3 m-70 -52.25 -56.73 12.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.787 -0.642 . . . . 2.46 109.965 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.643 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 13.1 t90 -45.86 -43.07 13.24 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.086 -0.506 . . . . 2.64 111.356 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 7.3 mttt -53.96 -53.21 55.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.873 -0.331 . . . . 2.86 110.656 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.08 -51.99 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.034 0.445 . . . . 3.03 110.639 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.5 mt -58.31 -36.5 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 2.38 110.802 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -61.43 -50.48 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.846 -0.428 . . . . 4.07 109.846 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -57.51 -50.26 73.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.042 -0.526 . . . . 3.33 109.847 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.84 -48.59 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 2.59 110.435 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.3 74.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 2.24 110.891 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.33 72.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 2.56 110.397 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.33 84.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.55 . . . . 2.74 110.57 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -57.83 -45.82 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 4.42 110.359 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.97 -29.41 69.11 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.667 -0.778 . . . . 3.27 112.661 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.644 0.259 . . . . 4.07 111.581 -179.364 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.433 ' CE1' ' HG2' ' A' ' 11' ' ' GLN . 12.3 p80 . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.488 0.185 . . . . 4.11 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 1.097 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 15.8 mm100 -66.34 -39.78 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.958 -0.386 . . . . 3.73 109.958 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 34.9 t80 -53.28 -50.63 64.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.201 -0.454 . . . . 1.14 110.037 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.47 -52.21 55.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.429 -0.35 . . . . 2.77 110.319 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -53.34 39.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 4.35 110.019 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 1.097 ' OD1' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -51.79 -53.57 38.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.002 0.43 . . . . 2.1 109.946 178.797 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -52.19 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 2.23 110.632 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -53.93 -51.84 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 2.46 110.467 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.505 -0.316 . . . . 2.49 110.755 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -65.43 -56.62 11.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.332 . . . . 3.07 110.181 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -45.97 -42.68 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.324 -0.398 . . . . 2.5 110.25 178.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -40.98 67.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.714 -0.476 . . . . 1.59 109.714 178.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.603 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 26.1 t90 -56.1 -40.2 73.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.659 -0.7 . . . . 2.24 111.754 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 20' ' ' GLU . 7.3 tp -64.56 -52.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.157 -0.617 . . . . 1.92 110.414 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -56.57 -43.03 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.977 0.418 . . . . 3.58 110.455 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -37.27 73.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.798 -0.637 . . . . 3.45 111.075 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 11.6 tptp -68.21 -41.83 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 2.77 110.16 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HB2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -53.39 -46.44 69.68 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.189 0.518 . . . . 3.62 109.908 178.627 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.19 -39.64 90.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.026 -0.534 . . . . 3.19 110.207 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.63 -45.28 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 3.08 110.412 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.54 -46.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.007 0.432 . . . . 2.48 110.392 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -56.39 -34.35 66.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 3.01 111.01 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -77.25 -44.18 30.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 3.19 111.033 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 4.37 110.943 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.818 0.342 . . . . 4.24 110.254 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -58.39 -50.95 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 3.83 109.653 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -54.59 -55.88 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.382 -0.826 . . . . 4.27 110.653 179.383 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.82 -33.45 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.876 -0.602 . . . . 5.49 111.26 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -33.01 68.78 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.468 -0.567 . . . . 4.3 109.468 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.65 91.71 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.236 -0.653 . . . . 4.17 109.236 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -46.83 -58.75 3.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.946 0.403 . . . . 3.6 110.176 179.094 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -56.58 -45.95 81.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.139 -0.482 . . . . 3.17 110.75 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 -63.74 -27.04 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 4.13 110.321 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.52 -54.46 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 2.9 110.757 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG2' ' N ' ' A' ' 54' ' ' ALA . 2.1 pt-20 -53.88 -43.95 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 3.17 110.571 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.481 ' N ' ' HG2' ' A' ' 53' ' ' GLU . . . -62.25 -48.69 78.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.109 0.481 . . . . 1.35 109.871 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.5 mt-10 -54.75 -53.52 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.628 -0.715 . . . . 2.6 110.889 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.603 HD23 ' CH2' ' A' ' 95' ' ' TRP . 23.6 mt -55.53 -40.06 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.4 -0.363 . . . . 2.67 111.563 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -57.85 -43.38 85.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.37 111.663 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.01 -26.41 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.89 0.7 . . . . 1.43 112.89 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.835 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.3 m80 -77.18 -33.92 56.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 2.61 111.551 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -56.77 -60.8 8.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 3.01 110.841 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.4 Cg_exo -55.4 -40.19 86.93 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.394 2.063 . . . . 1.6 112.414 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.43 -49.43 74.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.287 -0.415 . . . . 1.31 111.249 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.0 mt -70.65 -45.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 1.08 110.796 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -46.57 70.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 3.27 110.522 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.58 -49.96 25.96 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.736 -0.745 . . . . 1.14 111.717 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 67' ' ' LEU . 1.2 t -57.86 -50.67 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.395 . . . . 1.46 110.321 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' N ' HG12 ' A' ' 66' ' ' VAL . 20.7 tp -52.83 -53.16 52.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 2.13 110.706 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.6 -47.09 73.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.24 110.842 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -60.48 -48.84 80.02 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.161 -0.311 . . . . 1.02 110.161 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.05 -41.66 53.28 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.675 -0.774 . . . . 0.79 111.275 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 1.106 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -57.97 -47.32 83.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.2 -0.667 . . . . 3.25 109.2 178.739 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HA ' ' OD1' ' A' ' 75' ' ' ASP . 1.7 tmtm? -57.4 -46.29 83.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.721 -0.672 . . . . 3.71 109.764 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 12' ' ' PHE . 3.3 mp -48.67 -54.96 12.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 1.52 109.555 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -54.23 -42.32 69.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 1.76 109.988 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 1.106 ' OD1' ' O ' ' A' ' 71' ' ' LYS . 3.6 m-20 -63.3 -30.55 71.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.584 -0.734 . . . . 2.34 112.242 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.37 -5.01 23.38 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.587 0.958 . . . . 2.89 113.587 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -150.18 14.32 0.79 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.347 -0.541 . . . . 4.42 112.365 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.472 ' OG1' HD13 ' A' ' 79' ' ' ILE . 30.1 p 32.0 -99.41 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 4.87 112.124 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.16 127.48 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.333 -0.394 . . . . 4.56 111.361 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.85 -36.77 2.07 Favored Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.111 -0.796 . . . . 2.87 111.111 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -33.32 6.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.311 -0.444 . . . . 4.4 111.299 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -43.55 -53.59 5.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.664 0.269 . . . . 3.0 111.36 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.51 -50.84 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.106 0.479 . . . . 2.94 109.984 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.57 -45.89 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.859 -0.609 . . . . 2.47 110.823 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.8 -50.08 66.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.423 -0.353 . . . . 3.13 110.811 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -55.46 -47.3 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 3.09 110.459 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -50.82 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 4.43 110.688 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.74 -35.83 69.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 1.9 110.354 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -61.43 -37.92 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.97 110.455 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -66.97 -40.93 87.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.27 0.557 . . . . 2.72 109.83 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.531 ' CE1' HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -59.99 -53.57 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 1.19 109.986 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -53.88 -44.46 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.774 -0.37 . . . . 1.37 110.216 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.6 OUTLIER -51.95 -58.54 6.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.77 0.319 . . . . 1.71 110.942 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -57.09 -48.48 78.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.912 0.387 . . . . 2.46 111.102 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.603 ' CH2' HD23 ' A' ' 56' ' ' LEU . 12.7 t-105 -62.33 -35.25 78.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 2.64 110.608 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -47.87 82.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 2.86 109.937 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.27 -48.11 81.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.038 0.447 . . . . 3.03 109.856 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 27' ' ' LYS . 1.3 mp -57.27 -46.92 82.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.897 -0.592 . . . . 2.38 110.245 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -55.59 -50.58 69.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 4.07 109.849 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -51.41 -54.85 22.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 3.33 110.108 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -50.12 60.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 2.59 110.262 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.56 74.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.956 -0.566 . . . . 2.24 110.911 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 2.56 110.706 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.25 85.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.18 0.514 . . . . 2.74 109.757 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -49.47 -55.68 12.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.36 -0.837 . . . . 4.42 110.27 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -36.93 93.23 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.889 -0.672 . . . . 3.27 112.247 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.523 0.201 . . . . 4.07 111.321 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.351 -0.611 . . . . 4.11 109.351 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -68.88 -46.0 69.54 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.601 -0.727 . . . . 3.73 109.849 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.513 ' CD2' HD11 ' A' ' 73' ' ' LEU . 72.5 t80 -47.66 -50.33 25.0 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.342 -0.543 . . . . 1.14 109.666 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -50.71 -50.82 54.35 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.556 . . . . 2.77 109.5 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.579 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.9 -56.39 21.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.943 -0.572 . . . . 4.35 109.832 178.565 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 1.275 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 1.1 m-20 -49.95 -43.66 50.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.278 -0.419 . . . . 2.1 110.395 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.579 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -57.98 -54.25 49.02 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.298 0.571 . . . . 2.23 110.192 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.403 ' HB2' HH21 ' A' ' 14' ' ' ARG . 11.4 m-20 -55.94 -41.47 74.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.187 -0.672 . . . . 2.46 109.187 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.275 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -57.6 -46.74 83.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.988 -0.551 . . . . 2.49 110.883 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 11.7 pt-20 -64.16 -55.65 20.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.382 -0.599 . . . . 3.07 109.382 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.959 ' OE1' HD12 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -50.42 -39.22 46.75 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.299 -0.63 . . . . 2.5 109.299 178.237 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -65.54 -41.09 93.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.422 -0.808 . . . . 1.59 109.767 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.844 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 49.5 t90 -53.07 -47.07 68.78 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.797 -0.445 . . . . 2.24 109.797 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.959 HD12 ' OE1' ' A' ' 20' ' ' GLU . 48.0 mt -52.68 -59.9 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.396 0.617 . . . . 1.92 109.895 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -44.44 57.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.341 -0.845 . . . . 3.58 111.161 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -47.95 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 3.45 110.693 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.0 89.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 2.77 110.255 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -49.06 62.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.82 -0.437 . . . . 3.62 109.82 179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.62 -32.02 73.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.075 0.464 . . . . 3.19 109.964 179.107 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.39 -47.45 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.968 -0.56 . . . . 3.08 110.11 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -36.97 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.988 0.423 . . . . 2.48 109.921 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 m -55.96 -37.69 69.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.575 -0.739 . . . . 3.01 110.28 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -80.39 -53.61 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 3.19 110.504 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 4.37 110.381 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.732 0.301 . . . . 4.24 110.451 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.1 -42.4 98.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 3.83 110.094 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.18 -58.62 7.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.993 -0.548 . . . . 4.27 110.769 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -36.79 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.369 -0.378 . . . . 5.49 110.597 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.64 -42.6 98.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 4.3 110.123 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -62.02 -45.91 91.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.814 -0.63 . . . . 4.17 110.312 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.8 -50.46 73.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 3.6 110.438 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -44.22 81.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 3.17 110.926 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -47.86 83.78 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.05 0.452 . . . . 4.13 110.012 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.72 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.736 -0.666 . . . . 2.9 109.5 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -49.47 -52.91 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.808 -0.633 . . . . 3.17 110.732 179.041 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.13 79.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.079 0.466 . . . . 1.35 110.381 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.81 -52.57 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 2.6 110.73 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.7 -44.01 66.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 2.67 111.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.31 75.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.37 111.445 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.66 -21.42 48.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.036 -0.529 . . . . 1.43 111.644 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.844 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -67.73 -31.18 70.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.011 0.375 . . . . 2.61 112.011 -179.173 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.584 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 1.9 mp0 -60.15 -63.19 4.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.155 -0.618 . . . . 3.01 109.65 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -62.44 -43.78 21.06 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.145 1.897 . . . . 1.6 112.104 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -55.78 27.36 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.611 -0.722 . . . . 1.31 112.375 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.41 -44.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 121.029 -0.268 . . . . 1.08 111.324 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -49.88 14.7 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.716 -0.476 . . . . 3.27 109.716 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.2 -48.73 39.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 1.14 111.401 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.43 -47.14 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.104 0.478 . . . . 1.46 109.952 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 5.2 mp -55.86 -52.89 62.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.758 -0.655 . . . . 2.13 110.454 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -53.34 -49.05 67.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 2.24 110.444 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.3 m -56.03 -54.17 48.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.341 -0.39 . . . . 1.02 110.487 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.48 -42.39 75.44 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 120.431 -0.89 . . . . 0.79 111.777 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -59.23 -37.59 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.846 0.355 . . . . 3.25 110.299 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -57.92 9.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.042 -0.526 . . . . 3.71 110.63 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -53.1 -38.58 62.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 1.52 110.486 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -59.6 -51.77 68.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 1.76 111.065 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.5 -44.41 62.52 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.794 0.33 . . . . 2.34 111.222 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.09 14.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 2.89 111.703 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 43.09 41.44 2.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.82 0.343 . . . . 4.42 111.429 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -73.53 139.89 45.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.384 . . . . 4.87 110.682 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' ILE . 15.5 tt -57.67 116.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 4.56 111.022 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.07 -23.61 8.59 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.07 -0.586 . . . . 2.87 112.064 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -45.86 -40.68 10.26 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 111.618 0.229 . . . . 4.4 111.618 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -57.19 -57.59 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.62 0.248 . . . . 3.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.2 tp10 -53.67 -45.52 70.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 2.94 110.004 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.41 HD13 HD12 ' A' ' 73' ' ' LEU . 86.1 mt -56.06 -52.88 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 2.47 110.682 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -43.88 71.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.391 . . . . 3.13 110.972 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -60.64 -49.27 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.551 -0.295 . . . . 3.09 110.755 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -45.24 92.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 4.43 110.193 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 92' ' ' VAL . 7.4 tt -54.79 -45.76 74.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.847 -0.615 . . . . 1.9 110.523 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.05 77.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 0.97 110.537 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -35.44 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 2.72 109.668 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 23' ' ' ILE . 19.6 t80 -59.52 -52.19 66.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.767 -0.651 . . . . 1.19 110.158 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 88' ' ' LEU . 2.5 t -54.49 -52.05 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.818 -0.438 . . . . 1.37 109.818 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -49.79 -54.08 21.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.006 178.777 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.521 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.2 m-70 -52.61 -56.26 16.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.449 . . . . 2.46 111.192 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.409 ' HD1' HD12 ' A' ' 98' ' ' LEU . 12.2 t90 -58.47 -34.36 70.78 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 120.623 -0.431 . . . . 2.64 111.598 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.624 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -57.38 -44.91 84.86 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.422 -0.511 . . . . 2.86 109.848 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.624 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 5.2 mm-40 -59.23 -47.93 83.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.99 0.424 . . . . 3.03 110.138 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.731 HD11 HG23 ' A' ' 23' ' ' ILE . 20.3 mt -55.98 -46.62 78.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 2.38 110.179 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.467 ' HB2' ' HZ3' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -55.72 -53.62 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.546 . . . . 4.07 109.928 179.558 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -53.98 -50.55 66.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.265 -0.425 . . . . 3.33 109.956 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.14 -47.88 65.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 2.59 110.429 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.48 -49.38 61.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.271 -0.422 . . . . 2.24 110.699 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.06 76.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 2.56 110.283 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.68 83.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.902 -0.59 . . . . 2.74 110.704 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -40.39 82.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 4.42 110.307 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.88 83.08 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.914 -0.66 . . . . 3.27 111.776 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 4.07 110.233 179.379 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 t60 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.478 0.18 . . . . 4.11 111.442 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -56.8 -41.91 78.59 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.237 -0.185 . . . . 3.73 110.854 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 19.9 t80 -56.25 -44.24 79.49 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.705 -0.85 . . . . 1.14 108.705 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -50.97 38.13 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.911 -0.774 . . . . 2.77 108.911 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -56.2 -53.72 53.76 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.658 -0.701 . . . . 4.35 109.588 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 1.063 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 3.8 m-20 -48.97 -49.64 39.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.787 0.327 . . . . 2.1 110.291 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.992 ' HA ' ' OE2' ' A' ' 19' ' ' GLU . 1.9 mmm -53.79 -52.66 59.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.118 0.485 . . . . 2.23 109.952 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.05 -44.75 71.34 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.722 -0.672 . . . . 2.46 109.688 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -43.09 62.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 2.49 110.738 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 1.27 ' OE1' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -66.99 -59.04 3.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.568 -0.53 . . . . 3.07 109.568 178.812 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.55 -37.88 8.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.992 -0.744 . . . . 2.5 108.992 178.364 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -67.63 -45.68 74.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.374 -0.83 . . . . 1.59 109.509 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.641 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 63.7 t90 -49.82 -43.74 48.92 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.298 -0.41 . . . . 2.24 110.041 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -50.39 -59.71 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 1.92 109.85 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -43.65 70.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 3.58 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -45.38 86.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.439 . . . . 3.45 111.042 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -63.11 -50.6 69.85 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.632 -0.507 . . . . 2.77 109.632 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -50.29 -43.3 53.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.266 0.555 . . . . 3.62 109.666 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -38.96 92.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.676 -0.693 . . . . 3.19 110.3 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -43.86 95.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 3.08 110.028 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG22 ' HE2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -56.5 -39.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.742 -0.663 . . . . 2.48 110.526 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 3.01 110.466 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 2.6 m -73.03 -43.54 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 3.19 110.595 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 32' ' ' SER . 3.8 mm-40 . . . . . 0 N--CA 1.475 0.81 0 O-C-N 124.571 1.169 . . . . 4.37 110.571 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.104 0.478 . . . . 4.24 110.358 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.765 -0.652 . . . . 3.83 109.801 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.7 -56.76 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 4.27 109.528 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -40.27 71.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.007 -0.542 . . . . 5.49 109.724 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.97 96.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.663 -0.699 . . . . 4.3 110.187 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HE2' HG22 ' A' ' 30' ' ' VAL . 10.6 mttt -58.36 -50.58 73.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.591 -0.522 . . . . 4.17 109.591 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.41 -53.97 31.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 3.6 110.502 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 1.241 ' CA ' ' OE1' ' A' ' 53' ' ' GLU . 2.1 mptp? -52.71 -48.04 66.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.959 0.409 . . . . 3.17 110.345 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -58.6 -38.11 77.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 4.13 110.201 179.355 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -53.4 58.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.621 -0.718 . . . . 2.9 110.154 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 1.241 ' OE1' ' CA ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -51.11 -48.9 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 3.17 110.407 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.25 63.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.431 . . . . 1.35 110.65 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.45 -49.2 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 2.6 110.142 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.06 -39.74 56.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 2.67 111.674 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.88 -48.73 75.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 1.37 111.49 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.66 -24.76 53.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 1.43 111.481 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.641 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -73.86 -26.88 60.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.296 -0.411 . . . . 2.61 111.59 -179.179 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.583 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -58.16 -62.39 5.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 119.022 -1.071 . . . . 3.01 108.603 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.583 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 47.2 Cg_exo -57.94 -48.58 15.81 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.335 2.023 . . . . 1.6 112.342 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.83 -56.37 21.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.082 -0.508 . . . . 1.31 112.298 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CG1' ' O ' ' A' ' 59' ' ' HIS . 1.4 mm -55.14 -50.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 1.08 110.403 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.71 -49.77 64.71 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.411 -0.359 . . . . 3.27 110.318 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.96 -46.37 14.53 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.851 -0.69 . . . . 1.14 111.984 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.27 HG11 ' OE1' ' A' ' 19' ' ' GLU . 5.8 t -57.24 -57.77 8.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.006 0.431 . . . . 1.46 110.126 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 67' ' ' LEU . 9.4 tt -48.64 -51.47 28.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.95 -0.568 . . . . 2.13 110.147 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -53.18 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 2.24 110.647 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -56.65 -47.3 80.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.852 0.358 . . . . 1.02 110.436 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.48 -42.73 84.56 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.482 -0.866 . . . . 0.79 111.666 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -58.52 -39.9 81.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.832 0.348 . . . . 3.25 110.513 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.32 -54.69 15.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.12 -0.491 . . . . 3.71 110.688 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.21 -48.29 71.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 1.52 110.55 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -45.04 65.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.766 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -40.12 94.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 2.34 110.84 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 5.4 m-20 -61.91 -46.98 86.97 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.605 -0.517 . . . . 2.89 109.605 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -167.56 136.95 2.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.387 -0.824 . . . . 4.42 109.618 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.898 HG22 ' OE2' ' A' ' 82' ' ' GLU . 4.0 m -89.21 -39.64 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 4.87 111.107 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mm -56.82 99.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.048 -0.524 . . . . 4.56 110.946 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.99 -36.59 3.39 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 115.959 -0.564 . . . . 2.87 112.279 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -25.94 58.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.396 0.147 . . . . 4.4 111.396 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.898 ' OE2' HG22 ' A' ' 78' ' ' THR . 65.8 mm-40 -40.51 -47.24 2.63 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.706 -0.224 . . . . 3.0 111.284 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.1 -59.98 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 2.94 110.665 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.7 mt -55.43 -44.72 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 2.47 110.254 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -42.56 70.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 3.13 110.587 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -49.71 76.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.863 0.363 . . . . 3.09 110.206 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -61.52 -47.34 86.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 4.43 110.127 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 92' ' ' VAL . 64.8 tp -55.63 -43.1 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 1.9 110.185 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.01 78.29 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.176 -0.466 . . . . 0.97 110.058 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.65 -43.3 94.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 2.72 109.9 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -56.16 -49.1 74.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.07 -0.514 . . . . 1.19 109.816 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 88' ' ' LEU . 2.4 t -51.84 -52.94 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.456 -0.338 . . . . 1.37 110.691 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.792 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.11 -52.31 44.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 1.71 110.411 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.792 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 11.0 m-70 -55.39 -52.92 61.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.072 0.463 . . . . 2.46 109.962 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 59' ' ' HIS . 56.8 t-105 -51.27 -44.9 61.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.696 -0.684 . . . . 2.64 110.042 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -54.21 -55.43 28.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.419 -0.809 . . . . 2.86 110.189 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -43.84 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 3.03 110.148 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -52.99 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 2.38 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -57.87 -43.65 86.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 4.07 109.99 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -53.41 58.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 3.33 110.261 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.51 -49.16 65.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 2.59 110.095 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.56 58.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.926 -0.579 . . . . 2.24 110.733 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.16 -48.55 70.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 2.56 110.747 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.02 81.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.993 -0.549 . . . . 2.74 110.576 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.63 98.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 4.42 110.553 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.0 97.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.782 -0.723 . . . . 3.27 111.787 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.957 0.408 . . . . 4.07 110.272 179.613 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.879 0.371 . . . . 4.11 110.437 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -66.04 -29.97 70.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 3.73 110.22 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.514 ' HE2' HD12 ' A' ' 84' ' ' ILE . 80.4 t80 -58.03 -50.49 73.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.397 -0.594 . . . . 1.14 109.397 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -50.43 56.56 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.77 -0.455 . . . . 2.77 109.77 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -54.72 -53.98 47.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 4.35 110.037 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -50.98 -50.04 59.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 2.1 110.223 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -54.24 36.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.304 -0.407 . . . . 2.23 110.61 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.74 -48.11 72.99 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.243 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -46.32 61.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 2.49 110.584 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.666 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 5.2 mm-40 -65.25 -58.46 5.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 3.07 109.786 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -40.32 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 2.5 109.729 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 t -67.08 -47.03 72.47 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.345 -0.613 . . . . 1.59 109.345 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 47.4 t90 -49.4 -45.45 46.13 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.064 -0.516 . . . . 2.24 109.805 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.4 mm -45.96 -59.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.035 0.445 . . . . 1.92 110.343 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -55.8 -46.49 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 3.58 110.675 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -35.88 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 3.45 110.962 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -55.03 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 2.77 110.557 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.16 -37.26 61.71 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.883 0.373 . . . . 3.62 110.432 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 tt -70.9 -35.73 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 3.19 110.223 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.07 -45.36 95.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.964 -0.562 . . . . 3.08 110.644 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.12 -47.78 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 2.48 110.446 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m -53.49 -33.25 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 3.01 111.092 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 m -80.8 -52.6 7.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 3.19 111.401 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-N 115.988 -0.551 . . . . 4.37 111.376 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.183 0.516 . . . . 4.24 110.033 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.9 -36.67 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 3.83 110.224 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.57 -57.32 11.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 4.27 110.006 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -48.55 -42.45 33.48 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.123 -0.49 . . . . 5.49 110.569 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -43.29 85.07 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.076 -0.511 . . . . 4.3 110.45 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.36 -41.81 94.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 4.17 110.22 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -55.63 32.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 3.6 110.375 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -53.29 -42.45 66.62 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.15 -0.477 . . . . 3.17 110.509 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -38.44 91.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 4.13 109.972 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -53.66 55.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 2.9 110.731 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.45 -49.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.389 -0.368 . . . . 3.17 110.771 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.84 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.151 0.5 . . . . 1.35 110.143 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE2' ' CE1' ' A' ' 59' ' ' HIS . 23.2 tp10 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.467 -0.788 . . . . 2.6 110.512 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.7 tt -56.23 -39.28 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 2.67 111.916 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.81 -52.75 62.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.114 -0.493 . . . . 1.37 112.251 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.72 -23.88 42.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.43 112.065 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.713 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 6.7 m80 -72.88 -25.51 61.11 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 2.61 112.503 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.57 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -65.52 -61.4 5.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.253 -0.647 . . . . 3.01 109.253 179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 31.8 Cg_exo -58.54 -40.87 70.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.116 1.877 . . . . 1.6 112.158 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.39 -61.23 2.73 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.519 0.563 . . . . 1.31 112.519 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.602 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 1.6 mp -68.97 -40.18 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.675 -0.239 . . . . 1.08 111.315 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -56.65 -52.24 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.641 0.258 . . . . 3.27 110.664 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.2 -45.36 10.32 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.766 -0.731 . . . . 1.14 111.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.95 -58.59 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.899 0.381 . . . . 1.46 110.173 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tt -46.72 -48.67 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 2.13 110.659 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -55.24 30.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 2.24 110.959 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.408 ' HB ' ' CE1' ' A' ' 12' ' ' PHE . 5.5 m -58.03 -44.01 87.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.936 0.398 . . . . 1.02 110.119 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.724 -0.75 . . . . 0.79 111.448 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -60.44 -37.02 79.62 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.851 -0.426 . . . . 3.25 109.851 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -50.81 70.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.846 -0.616 . . . . 3.71 110.085 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.01 -49.66 11.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.154 0.502 . . . . 1.52 110.474 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -50.52 -48.99 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.771 -0.649 . . . . 1.76 111.785 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -57.16 -43.77 82.87 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.157 0.428 . . . . 2.34 112.157 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -83.65 -16.04 46.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.703 0.261 . . . . 2.89 111.703 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 66.54 109.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 4.42 110.498 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.459 ' H ' ' HD3' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -146.93 143.28 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 4.87 110.651 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 pt -65.99 113.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.364 -0.38 . . . . 4.56 110.688 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.25 -28.12 4.62 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.551 -0.62 . . . . 2.87 111.551 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' ' 78' ' ' THR . 11.9 pttm -47.33 -45.91 24.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 4.4 111.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -54.09 -58.11 8.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 3.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.39 -39.99 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.039 0.447 . . . . 2.94 110.092 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.514 HD12 ' HE2' ' A' ' 12' ' ' PHE . 12.3 mm -55.26 -50.92 60.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 2.47 110.061 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -48.35 67.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 3.13 110.641 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -57.18 -51.08 70.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 3.09 110.377 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -58.26 -47.36 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 4.43 110.661 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 92' ' ' VAL . 35.6 tp -57.19 -41.68 79.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 1.9 110.704 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.48 75.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.97 110.262 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.03 -39.74 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.646 . . . . 2.72 109.377 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.666 ' CZ ' ' HB3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -54.86 -54.34 43.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.34 -0.845 . . . . 1.19 110.116 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 88' ' ' LEU . 4.6 t -55.4 -53.26 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 1.37 111.371 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.87 -44.49 86.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.703 0.287 . . . . 1.71 111.233 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.44 -48.91 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.555 -0.293 . . . . 2.46 110.878 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.476 ' CD1' ' HH2' ' A' ' 22' ' ' TRP . 20.4 t90 -67.94 -34.03 75.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.44 -0.346 . . . . 2.64 110.153 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -50.42 74.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 2.86 110.262 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.71 -49.47 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 3.03 110.361 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.21 -42.07 85.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.797 -0.638 . . . . 2.38 111.049 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -61.23 -48.67 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.131 -0.322 . . . . 4.07 110.131 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -56.17 -52.01 65.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.391 . . . . 3.33 110.386 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.23 -46.84 82.61 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.256 -0.429 . . . . 2.59 110.575 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.39 78.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 2.24 110.954 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 2.56 110.873 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.89 91.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.275 -0.421 . . . . 2.74 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -42.51 98.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 4.42 110.656 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.36 -35.24 91.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.082 -0.58 . . . . 3.27 112.241 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.689 0.28 . . . . 4.07 110.747 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m80 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.098 0.475 . . . . 4.11 109.865 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -60.19 -42.81 95.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.717 -0.674 . . . . 3.73 110.068 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 73' ' ' LEU . 44.2 t80 -48.9 -51.17 31.47 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.425 -0.352 . . . . 1.14 110.978 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -48.59 -50.41 32.59 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.531 -0.468 . . . . 2.77 109.908 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.434 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -60.71 -48.91 79.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.889 -0.596 . . . . 4.35 110.087 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.51 -42.84 64.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.363 . . . . 2.1 110.398 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 4.7 tpt -59.58 -58.42 8.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 2.23 110.125 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.13 -44.59 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.741 -0.466 . . . . 2.46 109.741 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.434 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 3.7 m-20 -54.52 -50.06 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 2.49 110.683 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 13.2 pt-20 -62.33 -54.43 40.67 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.832 -0.433 . . . . 3.07 109.832 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.606 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -48.3 -40.52 25.28 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.486 -0.561 . . . . 2.5 109.486 178.366 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.24 90.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.962 -0.563 . . . . 1.59 109.861 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.643 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 22.1 t90 -48.77 -45.04 39.35 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 110.325 -0.25 . . . . 2.24 110.325 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 94' ' ' HIS . 71.3 mt -52.33 -60.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.03 0.443 . . . . 1.92 110.315 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -53.9 -37.92 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 3.58 110.826 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -51.1 70.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.123 -0.49 . . . . 3.45 110.547 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HG2' HD21 ' A' ' 98' ' ' LEU . 28.8 tptt -59.52 -48.72 80.58 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.573 -0.528 . . . . 2.77 109.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG3' HD12 ' A' ' 98' ' ' LEU . 32.0 mttt -49.48 -47.61 48.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.19 -0.459 . . . . 3.62 110.186 178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -37.52 84.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.008 -0.542 . . . . 3.19 110.154 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.89 82.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 3.08 110.553 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.05 -48.94 63.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 2.48 110.687 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 p -51.12 -34.47 30.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.121 -0.491 . . . . 3.01 110.628 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -40.61 25.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 3.19 111.001 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 1.144 ' OE2' ' NH1' ' A' ' 51' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 4.37 110.465 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.036 0.446 . . . . 4.24 110.811 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.61 68.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 3.83 110.365 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -56.64 10.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.69 -0.485 . . . . 4.27 109.69 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -53.03 -38.74 62.64 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.14 -0.482 . . . . 5.49 110.033 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -55.51 32.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 4.3 109.927 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -54.5 -45.72 73.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 4.17 109.929 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -52.63 -49.89 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 3.6 110.515 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -44.97 51.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.349 -0.387 . . . . 3.17 110.397 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 1.144 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 17.7 ttp180 -67.19 -36.67 82.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 4.13 110.178 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.86 -45.92 90.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.851 -0.613 . . . . 2.9 110.187 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.823 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -50.49 -54.69 20.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.898 -0.408 . . . . 3.17 109.898 179.01 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.65 63.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.991 -0.55 . . . . 1.35 109.974 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 6.0 mt-10 -49.71 -54.58 17.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 2.6 110.367 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.52 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 51.9 mt -55.24 -34.57 64.1 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.962 -0.563 . . . . 2.67 111.737 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -68.79 -31.59 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 1.37 111.78 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.65 -19.66 60.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.326 0.491 . . . . 1.43 112.326 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.643 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 43.6 m80 -63.79 -41.99 97.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.371 . . . . 2.61 110.886 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 8.4 tp10 -58.64 -61.64 7.27 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 3.01 110.705 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 19.7 Cg_endo -60.06 -46.61 18.3 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.608 2.206 . . . . 1.6 113.551 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.26 69.63 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.301 0.852 . . . . 1.31 113.301 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 59' ' ' HIS . 86.7 mt -80.24 -41.8 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.03 -0.268 . . . . 1.08 111.692 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -52.78 -50.67 63.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 121.25 -0.18 . . . . 3.27 110.756 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.45 -48.92 8.59 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 120.506 -0.854 . . . . 1.14 111.868 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.418 HG21 ' OE1' ' A' ' 19' ' ' GLU . 17.2 t -59.69 -55.13 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 1.46 110.754 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.55 -49.18 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 2.13 110.929 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.13 -51.15 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 2.24 110.907 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.5 m -60.69 -47.02 88.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.954 -0.298 . . . . 1.02 110.415 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.31 -40.86 92.57 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.624 -0.798 . . . . 0.79 112.299 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -58.55 -43.17 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.762 -0.459 . . . . 3.25 109.762 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -47.66 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.725 -0.671 . . . . 3.71 109.577 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.438 HD12 ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -49.31 -45.75 45.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.668 -0.696 . . . . 1.52 110.292 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -54.19 -57.2 12.05 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.062 -0.517 . . . . 1.76 111.067 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.94 -32.7 66.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 2.34 110.978 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.67 -25.75 38.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 2.89 111.238 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -121.94 84.02 2.19 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.364 -0.38 . . . . 4.42 110.869 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -54.16 38.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 4.87 110.506 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 tp -95.61 104.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 4.56 110.578 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.34 -31.5 2.51 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.95 -0.643 . . . . 2.87 112.17 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -47.34 -39.27 14.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.509 0.195 . . . . 4.4 111.423 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -51.81 -51.63 55.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 3.0 111.113 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -52.42 -53.25 47.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.906 0.384 . . . . 2.94 110.351 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.2 mt -54.66 -47.95 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 2.47 110.85 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -54.17 -44.18 71.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 3.13 110.292 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 6.0 tp60 -60.08 -48.97 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.015 -0.365 . . . . 3.09 110.015 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -57.59 -50.03 74.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 4.43 110.486 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.7 tt -58.14 -40.72 82.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.9 110.158 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.63 -34.37 64.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.951 -0.568 . . . . 0.97 110.71 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -67.05 -45.2 78.12 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.778 -0.452 . . . . 2.72 109.778 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 23' ' ' ILE . 34.5 t80 -52.94 -49.42 66.07 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.151 -0.477 . . . . 1.19 109.795 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 88' ' ' LEU . 1.3 t -56.08 -50.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.997 -0.547 . . . . 1.37 110.32 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 8.1 t70 -52.23 -47.86 65.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 1.71 109.896 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.615 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.3 t-160 -52.19 -58.56 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 2.46 109.961 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -55.08 -41.93 72.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.353 -0.385 . . . . 2.64 110.39 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -50.99 -48.11 61.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.279 -0.419 . . . . 2.86 109.972 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -39.87 91.38 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.643 -0.503 . . . . 3.03 109.643 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.497 HD21 ' HG2' ' A' ' 26' ' ' LYS . 6.1 tt -56.5 -42.53 78.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.588 . . . . 2.38 110.19 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -55.39 -55.54 30.46 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.257 -0.645 . . . . 4.07 109.257 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.55 -52.56 29.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 3.33 109.854 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.88 -50.08 47.21 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 116.124 -0.489 . . . . 2.59 110.292 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.91 73.82 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.048 -0.524 . . . . 2.24 110.46 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.42 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.971 -0.559 . . . . 2.56 110.029 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.36 69.85 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.885 -0.598 . . . . 2.74 110.157 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.66 71.22 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.245 -0.65 . . . . 4.42 109.245 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.61 -37.57 61.38 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.984 -0.626 . . . . 3.27 111.95 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.038 0.447 . . . . 4.07 109.893 179.324 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.925 0.393 . . . . 4.11 110.683 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -67.64 -40.62 84.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 3.73 109.558 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CE2' HD22 ' A' ' 73' ' ' LEU . 35.8 t80 -47.48 -46.9 27.52 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.026 -0.534 . . . . 1.14 109.984 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CE2' HG13 ' A' ' 84' ' ' ILE . 14.9 m-85 -50.94 -51.82 48.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.611 -0.436 . . . . 2.77 110.161 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -61.8 -51.2 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 4.35 111.258 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 16' ' ' MET . 6.2 p30 -59.81 -35.12 74.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.202 -0.599 . . . . 2.1 111.4 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.443 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.5 ttp -65.29 -53.24 47.02 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.866 0.365 . . . . 2.23 110.317 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.3 -48.92 70.75 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.0 -0.546 . . . . 2.46 110.339 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.09 -49.52 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 2.49 110.438 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 1.099 ' OE2' HD13 ' A' ' 63' ' ' ILE . 2.9 tm-20 -61.76 -59.22 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.965 0.412 . . . . 3.07 110.216 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 1.496 ' OE1' ' CD2' ' A' ' 91' ' ' PHE . 1.2 tp10 -50.37 -35.15 26.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.392 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.12 -43.51 91.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.634 -0.506 . . . . 1.59 109.634 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.406 ' CZ2' ' HD2' ' A' ' 26' ' ' LYS . 59.2 t90 -62.37 -43.82 97.92 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.036 -0.529 . . . . 2.24 110.16 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.524 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -59.57 -50.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.146 -0.479 . . . . 1.92 110.404 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 36.9 mtmm -57.95 -47.95 81.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.78 0.324 . . . . 3.58 111.142 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.08 -43.78 95.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.352 -0.385 . . . . 3.45 110.959 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -67.99 -46.25 71.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.013 -0.54 . . . . 2.77 110.733 -179.543 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -54.99 -40.12 69.74 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.63 -0.507 . . . . 3.62 109.63 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.41 -43.9 92.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.916 -0.584 . . . . 3.19 110.026 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -44.62 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 3.08 110.276 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.32 -43.95 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 2.48 110.629 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -54.21 -36.85 63.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.379 -0.373 . . . . 3.01 110.485 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -73.61 -47.19 42.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 3.19 110.155 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.701 ' OE1' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.578 -0.737 . . . . 4.37 111.16 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.931 0.396 . . . . 4.24 110.408 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.57 -47.93 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.575 . . . . 3.83 110.449 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD21 ' OE1' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -61.61 -47.41 85.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.067 -0.515 . . . . 4.27 110.054 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -52.69 -43.48 65.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 5.49 110.331 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -53.24 -51.69 61.38 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.995 0.426 . . . . 4.3 110.149 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.03 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.773 -0.649 . . . . 4.17 110.398 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -56.02 -38.15 70.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.902 -0.59 . . . . 3.6 110.697 179.631 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -51.59 -46.17 63.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.318 -0.401 . . . . 3.17 110.72 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -62.74 -42.9 99.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 4.13 109.669 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -52.12 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.602 -0.726 . . . . 2.9 110.293 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -51.07 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.032 -0.531 . . . . 3.17 110.602 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.11 67.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.996 0.427 . . . . 1.35 110.34 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -52.18 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 2.6 110.045 178.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.426 ' HG ' ' CH2' ' A' ' 95' ' ' TRP . 2.4 tp -49.2 -37.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.547 -0.751 . . . . 2.67 111.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 1.37 111.464 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.0 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.43 111.912 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.558 ' O ' HG12 ' A' ' 63' ' ' ILE . 6.6 m-70 -63.67 -45.17 91.35 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.74 -0.384 . . . . 2.61 111.124 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.536 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -38.68 -64.35 0.49 Allowed Pre-proline 0 N--CA 1.466 0.356 0 C-N-CA 121.009 -0.277 . . . . 3.01 110.595 -178.45 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 73.0 Cg_exo -44.96 -44.94 14.51 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.458 2.106 . . . . 1.6 112.566 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.57 45.2 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.552 0.575 . . . . 1.31 112.552 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 1.099 HD13 ' OE2' ' A' ' 19' ' ' GLU . 1.4 mm -76.05 -49.86 24.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.591 0.234 . . . . 1.08 110.554 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -58.74 -52.36 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.528 -0.545 . . . . 3.27 109.528 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.44 -50.03 30.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.598 -0.81 . . . . 1.14 111.721 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -54.71 -54.94 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.46 110.229 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tt -49.17 -53.36 21.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 2.13 110.64 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.838 ' OD1' ' N ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -52.6 -50.45 63.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.362 -0.381 . . . . 2.24 110.811 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.838 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.9 m -58.89 -47.66 84.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.806 0.336 . . . . 1.02 110.683 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.92 -40.0 64.05 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.718 -0.753 . . . . 0.79 111.964 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -40.11 69.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.977 0.418 . . . . 3.25 109.932 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -65.75 -48.93 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 3.71 109.778 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 ' CE2' ' A' ' 12' ' ' PHE . 7.3 mp -48.05 -42.65 28.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 1.52 110.305 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 m -50.61 -56.04 13.59 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.081 -0.509 . . . . 1.76 110.471 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.519 . . . . 2.34 110.832 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.79 -30.54 68.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.983 -0.553 . . . . 2.89 110.933 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 10.5 t-20 56.81 -125.15 1.87 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.13 -0.486 . . . . 4.42 111.367 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.416 ' CB ' ' HZ1' ' A' ' 81' ' ' LYS . 3.9 m 66.76 61.6 0.53 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.013 0.435 . . . . 4.87 111.478 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 80' ' ' GLY . 4.0 mp 38.53 -108.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 115.66 -0.7 . . . . 4.56 112.419 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.514 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -14.95 -57.8 0.01 OUTLIER Glycine 0 CA--C 1.527 0.834 0 N-CA-C 115.959 1.144 . . . . 2.87 115.959 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 13.0 mttp -47.22 -33.93 5.9 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.027 0.751 . . . . 4.4 113.027 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -54.16 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 3.0 110.528 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.08 -47.69 65.06 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.705 -0.479 . . . . 2.94 109.705 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.437 HG13 ' CE2' ' A' ' 13' ' ' PHE . 3.4 mm -55.86 -49.32 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 2.47 110.015 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -50.65 -51.54 48.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 3.13 110.55 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.378 -0.374 . . . . 3.09 110.464 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -59.18 -47.5 85.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 4.43 110.529 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.2 -42.72 77.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 1.9 110.348 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.12 76.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 0.97 110.565 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -71.62 -38.36 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.448 -0.575 . . . . 2.72 109.448 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 1.496 ' CD2' ' OE1' ' A' ' 20' ' ' GLU . 14.4 t80 -56.11 -49.51 73.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.332 -0.618 . . . . 1.19 109.332 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t -51.93 -52.61 21.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.221 -0.445 . . . . 1.37 110.265 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 1.1 t70 -50.04 -54.78 18.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.143 0.497 . . . . 1.71 109.949 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.79 -53.78 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.25 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.426 ' CH2' ' HG ' ' A' ' 56' ' ' LEU . 66.3 t-105 -51.56 -45.64 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 2.64 110.312 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.63 -52.46 55.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.724 . . . . 2.86 111.179 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -45.54 86.75 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.792 0.33 . . . . 3.03 110.74 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -47.13 87.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 2.38 110.684 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -46.66 81.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 4.07 110.036 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -54.45 -55.37 29.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 3.33 109.892 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -48.18 54.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.506 . . . . 2.59 110.594 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.85 74.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 2.24 110.635 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.22 66.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 2.56 110.668 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.0 94.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.492 . . . . 2.74 110.472 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.62 ' NH2' HD12 ' A' ' 45' ' ' LEU . 16.1 mmt180 -60.64 -33.52 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 4.42 110.988 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.69 -30.49 63.92 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.78 -0.724 . . . . 3.27 112.0 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.763 0.316 . . . . 4.07 110.815 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.822 0.344 . . . . 4.11 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -58.99 -55.57 33.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 3.73 110.251 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD2' HD22 ' A' ' 73' ' ' LEU . 20.1 t80 -50.39 -47.35 56.4 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.79 -0.448 . . . . 1.14 109.79 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.83 -54.15 42.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.305 -0.628 . . . . 2.77 109.305 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.538 ' NH2' ' HB3' ' A' ' 17' ' ' ASP . 3.1 tpm_? -50.79 -55.63 15.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 4.35 110.207 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.29 -51.13 47.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.892 0.377 . . . . 2.1 110.115 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -50.7 60.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.173 0.511 . . . . 2.23 110.025 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' NH2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -53.24 -56.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 2.46 110.173 179.016 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -53.47 -36.5 61.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.974 0.416 . . . . 2.49 110.245 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.6 tt0 -63.56 -59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 3.07 109.607 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' CB ' HH22 ' A' ' 87' ' ' ARG . 9.1 tp10 -45.49 -42.49 10.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.629 -0.878 . . . . 2.5 108.629 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.34 56.0 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 1.59 109.241 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 11.2 t90 -50.74 -41.08 56.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.879 -0.6 . . . . 2.24 110.532 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -57.11 -48.86 81.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.991 0.424 . . . . 1.92 109.93 179.163 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 23' ' ' ILE . 14.1 mmtm -60.11 -45.43 93.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.467 . . . . 3.58 109.835 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -37.4 83.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 3.45 110.315 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -61.84 -55.5 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.69 -0.687 . . . . 2.77 109.224 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -41.64 63.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.07 0.462 . . . . 3.62 110.232 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.65 -45.1 81.8 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.018 -0.537 . . . . 3.19 110.829 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.03 -49.01 72.65 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.029 0.443 . . . . 3.08 110.014 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 48' ' ' LYS . 58.7 t -54.58 -36.64 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 2.48 110.608 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -24.13 58.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 3.01 111.38 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -81.09 -44.0 18.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.062 0.393 . . . . 3.19 112.062 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -77.75 50.37 0.84 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.4 0.519 . . . . 4.37 112.4 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.9 -45.66 0.79 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.859 0.361 . . . . 4.85 111.153 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.05 118.03 7.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 9.52 111.285 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.04 50.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.824 -0.703 . . . . 4.85 112.58 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' HE ' ' CG ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER 71.32 118.7 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.763 0.316 . . . . 7.28 111.022 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -39.39 -53.18 2.03 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.275 -0.42 . . . . 5.96 112.09 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -40.43 -42.9 1.69 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.039 0.385 . . . . 5.47 112.039 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -92.69 -28.13 16.84 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.887 -0.142 . . . . 4.22 111.038 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.3 -44.75 1.69 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.869 -0.682 . . . . 4.04 112.408 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 43' ' ' GLN . 4.9 p -55.46 -55.84 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.956 0.408 . . . . 4.39 110.551 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.558 ' N ' HG13 ' A' ' 42' ' ' VAL . 59.6 mm-40 -63.68 -25.34 68.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 4.24 110.33 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.576 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 19.3 t-20 -69.67 -41.62 75.24 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.011 -0.541 . . . . 3.83 110.148 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.62 -50.21 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.35 -0.611 . . . . 4.27 109.35 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -56.56 -45.2 81.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 5.49 110.825 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -65.68 -37.68 87.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.758 0.313 . . . . 4.3 110.192 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.693 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -60.45 -49.27 78.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 4.17 109.856 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -49.69 -55.46 13.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 3.6 110.514 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -48.97 52.54 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.333 -0.394 . . . . 3.17 110.81 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 55' ' ' GLU . 10.3 ttp180 -65.23 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 4.13 110.405 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.23 -48.13 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 2.9 110.525 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.94 -52.45 64.09 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.953 -0.299 . . . . 3.17 110.243 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.5 75.13 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.041 0.448 . . . . 1.35 109.915 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 51' ' ' ARG . 19.9 mt-10 -52.31 -56.88 11.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.566 -0.743 . . . . 2.6 110.553 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -40.86 14.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.946 -0.57 . . . . 2.67 111.656 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.35 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 1.37 110.889 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.06 -26.35 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 1.43 112.079 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.829 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.7 m80 -76.32 -24.12 54.31 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.818 -0.173 . . . . 2.61 111.183 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.563 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -65.21 -61.02 6.69 Favored Pre-proline 0 C--N 1.331 -0.208 0 N-CA-C 110.108 -0.33 . . . . 3.01 110.108 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 52.5 Cg_exo -56.07 -39.92 88.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.394 2.063 . . . . 1.6 111.834 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.68 -57.64 11.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.916 -0.583 . . . . 1.31 111.386 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.829 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.4 mt -62.4 -45.49 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 1.08 110.907 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.51 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 3.27 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.18 -50.89 12.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 1.14 111.893 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 67' ' ' LEU . 1.1 t -61.32 -47.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.067 0.46 . . . . 1.46 109.977 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -50.0 -52.11 36.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 2.13 110.581 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.55 -49.22 75.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.354 -0.385 . . . . 2.24 110.125 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -53.1 -48.49 67.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.346 -0.388 . . . . 1.02 110.159 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.06 73.76 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.564 -0.827 . . . . 0.79 111.507 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -42.5 65.69 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.424 -0.584 . . . . 3.25 109.424 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -54.43 46.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.814 -0.63 . . . . 3.71 109.616 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 12' ' ' PHE . 8.3 mp -43.88 -44.96 7.28 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.841 -0.618 . . . . 1.52 110.051 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -53.11 -57.64 9.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.737 -0.665 . . . . 1.76 110.58 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -25.57 66.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 2.34 111.364 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.57 -13.18 30.08 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.544 0.572 . . . . 2.89 112.544 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -153.1 -59.0 0.14 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.386 0.513 . . . . 4.42 112.386 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 70.85 -70.33 0.16 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.404 0.44 . . . . 4.87 110.464 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.9 mt -57.72 93.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.054 0 CA-C-N 115.89 -0.595 . . . . 4.56 110.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.94 -61.59 0.66 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.651 -0.979 . . . . 2.87 110.651 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HG2' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.82 -32.5 8.85 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.679 0.276 . . . . 4.4 110.922 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.13 -41.11 12.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.696 0.284 . . . . 3.0 110.95 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -62.28 -43.36 99.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.956 0.407 . . . . 2.94 110.578 179.534 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 17.7 mt -60.13 -42.27 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 2.47 109.892 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.15 -48.42 53.84 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.646 -0.502 . . . . 3.13 109.646 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.55 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 8.9 tt0 -53.02 -50.1 64.92 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.13 -0.486 . . . . 3.09 110.015 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.474 HH22 ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -58.96 -46.85 87.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 4.43 109.893 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.42 -29.61 67.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.925 -0.579 . . . . 1.9 109.982 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 86' ' ' GLN . . . -55.15 -32.86 62.44 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.844 -0.428 . . . . 0.97 109.844 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.34 -43.92 89.39 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.423 -0.584 . . . . 2.72 109.423 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.801 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.8 t80 -52.21 -54.04 35.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.51 -0.768 . . . . 1.19 110.219 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 92' ' ' VAL . 3.7 t -57.27 -49.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.745 -0.661 . . . . 1.37 110.071 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -49.45 61.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.544 . . . . 1.71 110.549 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.6 -53.79 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.339 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -55.52 -43.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 2.64 110.262 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -52.03 50.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 2.86 110.399 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -47.04 82.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.145 0.498 . . . . 3.03 110.273 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.771 -0.65 . . . . 2.38 110.488 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -52.07 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 4.07 110.313 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.49 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -53.4 -47.87 69.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 3.33 110.604 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.49 ' N ' ' HG2' ' A' ' 100' ' ' GLN . 0.6 OUTLIER -57.85 -49.61 76.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.505 -0.316 . . . . 2.59 110.6 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.93 77.89 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.347 -0.388 . . . . 2.24 110.866 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.35 76.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 2.56 110.663 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.46 72.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 2.74 110.32 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -53.38 -48.86 68.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 4.42 110.775 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.63 89.57 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.896 -0.668 . . . . 3.27 112.333 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.625 0.25 . . . . 4.07 111.024 179.874 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.743 0.306 . . . . 4.11 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.66 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -61.11 -38.69 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.928 -0.397 . . . . 3.73 109.928 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 73' ' ' LEU . 68.4 t80 -51.08 -49.22 61.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.14 110.055 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CZ ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -49.11 -53.37 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 2.77 110.534 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.19 86.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.312 -0.404 . . . . 4.35 110.432 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.66 ' OD2' ' O ' ' A' ' 11' ' ' GLN . 14.5 m-20 -55.65 -45.82 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 2.1 110.288 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.489 ' SD ' ' HG2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.07 -54.24 42.11 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.729 -0.471 . . . . 2.23 109.729 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.54 -51.58 64.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.882 -0.599 . . . . 2.46 109.693 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.05 -45.46 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 2.49 110.437 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 tp10 -64.73 -60.24 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.744 -0.465 . . . . 3.07 109.744 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.4 -33.33 5.85 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.156 0.503 . . . . 2.5 109.788 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -42.41 91.63 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.888 -0.596 . . . . 1.59 109.793 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.638 ' CE3' ' NE2' ' A' ' 59' ' ' HIS . 20.2 t90 -47.84 -47.65 31.34 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.001 -0.74 . . . . 2.24 109.001 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' HA ' ' CE3' ' A' ' 22' ' ' TRP . 27.2 mt -49.88 -56.25 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 N-CA-C 109.081 -0.711 . . . . 1.92 109.081 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -48.03 -46.83 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.294 -0.866 . . . . 3.58 111.186 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.33 -51.46 69.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 3.45 111.232 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -63.22 -41.42 99.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 2.77 110.034 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -46.09 66.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.876 0.37 . . . . 3.62 110.167 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.8 tm? -56.35 -45.6 80.36 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.284 -0.416 . . . . 3.19 110.329 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.516 HD11 ' HD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -58.17 -44.86 88.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.064 -0.516 . . . . 3.08 110.474 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 26' ' ' LYS . 33.8 t -54.33 -42.4 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.48 110.078 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -39.1 71.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.7 -0.682 . . . . 3.01 110.314 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -66.28 -57.34 7.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.708 -0.678 . . . . 3.19 110.061 179.238 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 32' ' ' SER . 11.6 mm-40 135.95 -49.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 O-C-N 124.618 1.199 . . . . 4.37 110.151 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.892 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -166.1 156.41 12.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 4.85 111.107 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.516 ' HD1' HD11 ' A' ' 29' ' ' LEU . 1.7 t80 -56.02 110.77 0.79 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.957 -0.565 . . . . 9.52 110.501 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.48 54.52 31.99 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.616 -0.802 . . . . 4.85 112.239 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.892 ' HB2' ' OD1' ' A' ' 34' ' ' ASP . 5.0 tmm_? -58.51 133.67 56.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.91 0.386 . . . . 7.28 111.086 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 1.2 t70 -115.59 -6.78 12.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.615 -0.72 . . . . 5.96 110.011 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER 88.51 42.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.523 -0.762 . . . . 5.47 111.334 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 43' ' ' GLN . 1.4 t -133.27 113.16 12.31 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.861 -0.609 . . . . 4.22 109.412 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.56 -60.76 7.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.021 -0.609 . . . . 4.04 114.222 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.628 HG23 ' H ' ' A' ' 43' ' ' GLN . 13.1 m -54.2 -61.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 113.673 0.99 . . . . 4.39 113.673 -177.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.628 ' H ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -58.87 -43.34 90.84 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.943 -0.303 . . . . 4.24 111.568 -178.712 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 37' ' ' ARG . 12.3 m120 -65.1 -35.62 81.7 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.815 -0.354 . . . . 3.83 110.584 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.51 -53.0 58.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.641 -0.504 . . . . 4.27 109.641 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -52.04 -40.52 61.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.014 -0.539 . . . . 5.49 110.603 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.99 -45.34 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 4.3 110.63 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' NZ ' ' HB3' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -63.52 -36.75 84.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 4.17 110.326 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.2 -53.49 52.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 3.6 110.59 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -41.71 77.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.288 -0.415 . . . . 3.17 110.966 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.63 -46.92 77.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 4.13 110.137 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.33 -46.18 83.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 2.9 110.681 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HA ' HD23 ' A' ' 56' ' ' LEU . 43.2 tt0 -56.59 -51.42 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.377 -0.374 . . . . 3.17 110.976 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.62 95.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 1.35 110.104 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 1.6 tp10 -58.09 -53.63 56.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 2.6 111.47 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -61.83 -37.94 86.34 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.926 0.343 . . . . 2.67 111.926 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 56' ' ' LEU . . . -58.93 -47.85 83.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.475 -0.33 . . . . 1.37 111.856 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.6 -35.5 39.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.605 0.594 . . . . 1.43 112.605 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.638 ' NE2' ' CE3' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -66.03 -33.62 76.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.935 0.717 . . . . 2.61 112.935 -178.264 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.574 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -59.87 -62.98 4.79 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 119.655 -0.818 . . . . 3.01 110.16 -179.401 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.574 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 27.9 Cg_exo -63.43 -41.96 23.92 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.201 1.934 . . . . 1.6 112.33 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -61.25 -55.59 30.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.931 -0.577 . . . . 1.31 112.51 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.582 HD11 ' CD2' ' A' ' 59' ' ' HIS . 65.8 mt -68.08 -45.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.708 -0.224 . . . . 1.08 111.069 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -53.29 -51.98 60.56 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.884 -0.413 . . . . 3.27 109.884 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.9 -45.54 19.18 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.664 -0.779 . . . . 1.14 111.485 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' ALA . 25.6 t -57.15 -57.97 7.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.018 0.437 . . . . 1.46 110.009 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -49.39 -50.19 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 2.13 110.347 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.48 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 2.24 110.744 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 m -56.3 -46.03 79.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 1.02 110.144 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.67 -45.81 54.36 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.809 -0.71 . . . . 0.79 111.962 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -43.47 74.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.088 0.471 . . . . 3.25 109.86 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -62.15 -49.9 74.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.896 -0.593 . . . . 3.71 109.653 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 12' ' ' PHE . 3.8 mp -46.19 -40.54 11.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.758 -0.655 . . . . 1.52 110.383 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.481 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . 2.6 m -58.76 -53.3 59.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 1.76 110.944 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -34.92 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 2.34 111.238 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -73.67 -37.21 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 2.89 111.593 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -84.05 157.58 21.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.149 0.499 . . . . 4.42 111.998 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 p -79.81 -66.09 0.92 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.666 -0.697 . . . . 4.87 111.163 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.0 pt -123.7 -49.67 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.247 -0.433 . . . . 4.56 111.692 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -31.22 -32.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 114.512 0.565 . . . . 2.87 114.512 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.43 -32.34 7.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.914 0.357 . . . . 4.4 111.944 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.41 -49.96 53.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.311 . . . . 3.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.6 -48.46 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 2.94 110.034 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.405 HD13 HH21 ' A' ' 87' ' ' ARG . 14.7 mm -54.35 -46.06 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 2.47 110.555 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -55.47 -48.3 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 3.13 110.799 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -59.98 -44.56 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.376 . . . . 3.09 110.142 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.489 ' HG2' ' SD ' ' A' ' 16' ' ' MET . 20.6 ttp85 -59.48 -51.7 68.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 4.43 110.82 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.836 HD12 HD22 ' A' ' 67' ' ' LEU . 4.0 mm? -58.24 -44.33 88.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 1.9 110.245 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.12 74.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.97 110.249 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.48 -47.28 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 2.72 109.686 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' HG3' ' A' ' 19' ' ' GLU . 3.9 t80 -49.07 -50.88 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.669 -0.696 . . . . 1.19 110.168 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 92' ' ' VAL . 2.5 t -53.53 -56.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.37 110.458 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.753 ' OD1' ' C ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.85 -49.27 49.74 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.846 -0.427 . . . . 1.71 109.846 179.315 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.587 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 31.2 m170 -52.08 -58.34 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 2.46 110.752 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -54.14 -40.51 67.48 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.473 -0.33 . . . . 2.64 110.946 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.495 ' HG3' HE22 ' A' ' 100' ' ' GLN . 0.0 OUTLIER -56.38 -49.66 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 2.86 110.791 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 96' ' ' LYS . 3.9 mm-40 -63.17 -39.51 94.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 3.03 110.378 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.8 -45.42 89.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.613 . . . . 2.38 110.353 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.34 -52.34 65.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 4.07 109.957 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.495 HE22 ' HG3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -53.13 -53.18 54.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 3.33 110.369 178.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.92 -48.11 64.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.375 -0.375 . . . . 2.59 110.776 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.11 -46.9 78.96 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.242 -0.435 . . . . 2.24 110.838 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 2.56 110.588 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 2.74 110.682 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -49.75 -44.44 48.6 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.799 -0.445 . . . . 4.42 109.799 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.59 -37.63 95.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 110.772 -0.931 . . . . 3.27 110.772 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 121.174 0.511 . . . . 4.07 109.63 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.58 0.229 . . . . 4.11 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.7 -45.62 81.69 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.152 -0.314 . . . . 3.73 110.152 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -50.47 -48.01 56.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.86 0.362 . . . . 1.14 110.073 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -48.1 74.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.656 -0.498 . . . . 2.77 109.656 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -57.25 -50.35 73.16 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.009 -0.541 . . . . 4.35 110.095 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.17 -50.48 61.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.961 0.41 . . . . 2.1 110.033 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -54.5 -56.33 19.9 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.987 -0.551 . . . . 2.23 110.636 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.45 -41.17 76.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.107 -0.497 . . . . 2.46 110.264 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.453 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -54.73 -46.37 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 2.49 110.068 179.319 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 6.7 mt-10 -57.38 -60.25 3.92 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.642 -0.503 . . . . 3.07 109.642 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.565 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.1 tp10 -45.73 -45.39 14.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.663 -0.495 . . . . 2.5 109.663 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.64 -47.49 40.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.59 110.81 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 49.0 t90 -45.72 -45.57 14.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.683 -0.235 . . . . 2.24 111.505 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 20' ' ' GLU . 3.5 mt -54.2 -53.79 26.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.88 0.371 . . . . 1.92 110.528 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HZ3' ' CD ' ' A' ' 25' ' ' GLU . 6.4 ttpm? -55.45 -47.75 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.571 . . . . 3.58 111.081 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.438 ' CD ' ' HZ3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.91 -37.05 85.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.042 -0.526 . . . . 3.45 110.721 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.2 -50.49 67.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 2.77 109.842 179.317 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.53 -47.89 19.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.74 -0.467 . . . . 3.62 109.74 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.75 -42.2 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.839 -0.618 . . . . 3.19 110.286 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.61 -37.44 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.751 -0.659 . . . . 3.08 110.934 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 26' ' ' LYS . 38.7 t -55.41 -40.14 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 2.48 110.945 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 p -74.16 -24.71 59.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 3.01 111.452 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 11.7 p -77.99 -44.79 25.61 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.448 -0.342 . . . . 3.19 111.329 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.678 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 3.0 mm-40 76.51 13.78 2.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.914 -0.584 . . . . 4.37 111.327 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.678 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER 66.85 129.54 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.256 0.55 . . . . 4.85 111.592 179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.499 ' O ' ' C ' ' A' ' 36' ' ' GLY . 2.9 p90 -46.03 -40.09 10.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.237 -0.892 . . . . 9.52 112.965 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 35' ' ' TYR . . . -19.02 92.57 0.01 OUTLIER Glycine 0 C--N 1.336 0.569 0 O-C-N 123.419 0.449 . . . . 4.85 113.826 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.633 ' O ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER 24.01 54.33 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.256 0.623 . . . . 7.28 112.281 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.868 ' OD1' ' ND2' ' A' ' 44' ' ' ASN . 9.0 t0 -32.76 -48.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.681 0.622 . . . . 5.96 112.681 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -31.69 -43.28 0.06 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.233 0.457 . . . . 5.47 112.233 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 37' ' ' ARG . 3.4 t -85.41 65.16 9.05 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.877 -0.416 . . . . 4.22 109.877 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.93 -47.19 1.84 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 115.963 -0.562 . . . . 4.04 114.011 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.641 HG13 ' H ' ' A' ' 43' ' ' GLN . 5.6 p -55.38 -60.14 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 117.22 0.51 . . . . 4.39 111.791 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.641 ' H ' HG13 ' A' ' 42' ' ' VAL . 1.2 tp-100 -64.73 -23.78 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.422 . . . . 4.24 110.299 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.868 ' ND2' ' OD1' ' A' ' 38' ' ' ASP . 43.9 t-20 -68.02 -44.32 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 3.83 110.134 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.44 -54.35 44.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 4.27 109.862 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -50.89 -42.02 58.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.995 -0.548 . . . . 5.49 111.106 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HZ3' ' HB2' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -66.26 -44.09 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 4.3 110.386 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.22 95.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 4.17 110.389 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CE1' HH21 ' A' ' 105' ' ' ARG . 7.3 t-80 -59.2 -55.55 33.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 3.6 110.542 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -37.32 73.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.04 -0.527 . . . . 3.17 110.514 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -61.4 -48.32 81.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 4.13 110.225 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.49 -53.52 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 2.9 110.407 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.91 -48.72 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 3.17 111.165 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.49 96.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.063 0.458 . . . . 1.35 110.435 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.44 -55.21 37.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 2.6 110.536 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.37 -41.62 63.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.378 -0.374 . . . . 2.67 111.373 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -51.2 64.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 1.37 110.976 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -28.36 69.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.43 112.036 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 6.0 m-70 -68.81 -47.13 66.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 119.571 -0.252 . . . . 2.61 111.013 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.506 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -38.87 -61.97 0.83 Allowed Pre-proline 0 N--CA 1.463 0.19 0 C-N-CA 120.904 -0.318 . . . . 3.01 110.265 -179.493 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 74.2 Cg_exo -42.56 -46.97 7.88 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.152 1.901 . . . . 1.6 112.285 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.55 -23.64 42.69 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.243 0.46 . . . . 1.31 112.243 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 HG23 ' HE1' ' A' ' 91' ' ' PHE . 1.2 mm -72.59 -48.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.648 . . . . 1.08 109.252 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.1 -42.74 99.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.795 -0.817 . . . . 3.27 108.795 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.52 -49.06 11.78 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.839 -0.619 . . . . 1.14 112.141 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -55.94 -51.8 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.085 0 CA-C-N 117.09 0.445 . . . . 1.46 110.101 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.553 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -55.52 -51.31 67.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.839 -0.43 . . . . 2.13 109.839 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -52.09 27.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.906 -0.588 . . . . 2.24 110.465 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.5 m -60.4 -49.15 78.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.588 -0.523 . . . . 1.02 109.588 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.47 -39.27 29.22 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.911 -0.876 . . . . 0.79 110.911 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.58 -44.28 96.71 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.448 -0.575 . . . . 3.25 109.448 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -59.14 -38.12 78.9 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.943 -0.762 . . . . 3.71 108.943 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.8 -42.9 97.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.625 -1.17 . . . . 1.52 109.965 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 t -64.45 -38.8 92.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.48 -0.782 . . . . 1.76 112.083 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -39.22 -60.83 0.85 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.564 0.209 . . . . 2.34 111.564 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -37.18 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 2.89 110.639 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.24 68.27 3.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.122 0.487 . . . . 4.42 110.218 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -58.1 -73.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 4.87 111.031 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 pt -94.83 118.74 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 4.56 111.171 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.14 -32.87 3.17 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.131 -0.557 . . . . 2.87 111.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -53.68 -21.29 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.062 0.393 . . . . 4.4 112.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.92 -44.94 1.76 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.687 0.28 . . . . 3.0 111.259 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.64 -52.83 63.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.359 -0.382 . . . . 2.94 110.385 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.2 mt -56.79 -45.51 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 2.47 110.18 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -55.0 -47.66 74.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 3.13 110.146 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 86' ' ' GLN . 0.7 OUTLIER -58.05 -49.67 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 3.09 110.064 178.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -57.31 -51.27 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 4.43 111.052 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -61.12 -39.52 90.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 1.9 110.562 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -32.71 73.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.97 110.441 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -49.79 66.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.715 -0.675 . . . . 2.72 109.837 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 34.7 t80 -56.63 -49.76 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.787 -0.642 . . . . 1.19 109.779 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 88' ' ' LEU . 87.4 t -52.19 -51.14 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.37 110.344 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.93 -53.62 46.75 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.681 -0.489 . . . . 1.71 109.681 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -49.08 -55.67 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 2.46 110.286 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -53.23 -48.28 68.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.68 -0.691 . . . . 2.64 110.447 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.525 -0.762 . . . . 2.86 110.808 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 96' ' ' LYS . 1.5 tt0 -58.18 -49.61 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 3.03 110.707 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.76 -46.72 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 2.38 110.471 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -59.42 -47.1 86.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 4.07 110.117 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -55.19 -52.68 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.957 -0.565 . . . . 3.33 110.503 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.44 -48.16 74.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.367 -0.379 . . . . 2.59 110.5 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.16 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.458 . . . . 2.24 111.243 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.05 94.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.959 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.89 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 2.74 110.5 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.562 HH21 ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -56.9 -50.65 71.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 4.42 110.551 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.22 91.8 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.831 -0.7 . . . . 3.27 112.633 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 4.07 110.686 -179.805 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.3 p80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.506 0.193 . . . . 4.11 111.409 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -61.31 -34.88 75.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.732 -0.387 . . . . 3.73 110.041 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -51.5 -50.63 59.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.408 -0.36 . . . . 1.14 110.2 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.772 -0.371 . . . . 2.77 110.369 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -52.72 64.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.305 -0.407 . . . . 4.35 110.52 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 1.006 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 2.3 m-20 -55.43 -45.58 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 2.1 109.999 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.418 ' SD ' ' NH2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.02 -52.88 59.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 2.23 110.026 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -52.06 -55.02 23.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.083 -0.508 . . . . 2.46 110.482 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.006 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 4.3 p30 -53.06 -41.93 65.31 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.167 0.508 . . . . 2.49 109.753 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HG3' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tp10 -60.98 -60.94 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 3.07 110.05 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.971 ' OE2' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.54 -35.84 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.371 -0.603 . . . . 2.5 109.371 177.741 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 24.5 m -63.64 -37.45 87.39 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.953 -0.567 . . . . 1.59 109.656 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.885 ' CE3' ' CD2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -44.71 -44.82 9.44 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.1 -0.333 . . . . 2.24 110.1 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.736 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -57.18 -51.28 71.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.325 -0.398 . . . . 1.92 110.485 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -53.56 -46.79 70.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.415 -0.357 . . . . 3.58 111.002 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.94 -45.91 91.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 3.45 110.625 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -61.79 -48.71 79.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 2.77 110.95 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -60.01 -38.44 82.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.477 -0.329 . . . . 3.62 110.664 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.26 -40.64 86.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.888 0.375 . . . . 3.19 110.139 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -48.98 77.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.876 -0.602 . . . . 3.08 110.749 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 26' ' ' LYS . 12.0 t -58.16 -37.89 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.04 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -80.28 -22.24 41.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.548 . . . . 3.01 111.662 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -76.85 -51.44 11.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 3.19 111.085 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CD ' HH12 ' A' ' 105' ' ' ARG . 0.3 OUTLIER 56.25 30.61 16.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.988 -0.551 . . . . 4.37 110.415 -179.221 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -41.62 139.34 1.17 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.928 -0.578 . . . . 4.85 111.874 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.9 t80 72.71 -12.29 0.77 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.813 -0.63 . . . . 9.52 111.712 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.87 120.61 22.43 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.985 -0.626 . . . . 4.85 112.53 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.05 135.18 6.12 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 110.549 -0.167 . . . . 7.28 110.549 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -34.97 -56.21 0.57 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.79 0.663 . . . . 5.96 112.79 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -43.64 -23.66 0.08 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.952 0.723 . . . . 5.47 112.952 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -153.07 29.31 0.5 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.718 0.294 . . . . 4.22 111.043 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.19 -49.14 60.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.964 -0.636 . . . . 4.04 113.008 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -57.38 -59.77 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.681 0.277 . . . . 4.39 111.672 -179.603 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -58.46 -31.71 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 4.24 110.678 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -65.92 -48.57 70.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 3.83 110.12 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.2 -49.89 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 4.27 109.902 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.87 62.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.15 -0.477 . . . . 5.49 110.495 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -61.75 -46.17 90.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.297 -0.41 . . . . 4.3 110.179 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.81 -49.15 74.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.535 . . . . 4.17 110.021 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -50.01 -54.16 21.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.935 -0.575 . . . . 3.6 110.483 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -44.24 62.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 3.17 110.408 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.516 ' HE ' ' CD ' ' A' ' 55' ' ' GLU . 4.0 tpt180 -59.16 -41.55 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.082 -0.508 . . . . 4.13 110.213 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' HD23 ' A' ' 56' ' ' LEU . 44.5 mt -64.04 -50.45 68.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 2.9 109.927 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -49.87 -44.49 49.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.17 110.497 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.61 56.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.219 -0.446 . . . . 1.35 110.475 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.516 ' CD ' ' HE ' ' A' ' 51' ' ' ARG . 31.9 mt-10 -54.94 -47.43 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 2.6 110.515 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 52' ' ' LEU . 3.6 mm? -53.66 -44.85 69.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.875 -0.602 . . . . 2.67 111.141 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 1.37 111.297 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.09 40.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 1.43 111.163 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 1.243 ' CE1' HD11 ' A' ' 63' ' ' ILE . 8.1 t-80 -75.69 -21.12 57.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.031 -0.532 . . . . 2.61 111.159 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -66.8 -61.76 4.61 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.478 -0.564 . . . . 3.01 109.478 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 54.0 Cg_exo -52.69 -41.81 66.75 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.336 2.024 . . . . 1.6 111.459 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.73 66.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.669 -0.696 . . . . 1.31 111.408 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.243 HD11 ' CE1' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -55.84 -52.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 1.08 110.115 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -54.51 -51.79 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 3.27 110.337 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.63 28.89 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.769 -0.729 . . . . 1.14 111.926 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.5 t -57.22 -54.81 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 CA-C-O 120.985 0.421 . . . . 1.46 110.313 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.81 -50.2 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 2.13 110.884 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.13 -48.61 75.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.622 -0.263 . . . . 2.24 110.882 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 m -58.94 -50.92 72.23 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.172 -0.307 . . . . 1.02 110.172 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.01 69.22 Favored Glycine 0 C--N 1.336 0.58 0 C-N-CA 120.213 -0.994 . . . . 0.79 110.9 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -34.17 76.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.085 0.469 . . . . 3.25 109.92 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -51.82 68.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.998 -0.547 . . . . 3.71 110.342 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -36.88 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 1.52 110.422 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.473 ' HA ' ' HG3' ' A' ' 81' ' ' LYS . 19.7 m -63.18 -46.48 86.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.783 -0.644 . . . . 1.76 111.361 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -60.49 -34.52 74.17 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.617 -0.433 . . . . 2.34 109.846 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -71.74 -32.74 68.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 2.89 109.925 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 79.01 37.86 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.458 -0.792 . . . . 4.42 110.639 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 p -74.49 143.18 44.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 4.87 110.825 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.38 113.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . 4.56 110.669 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.84 -21.34 5.6 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.167 -0.539 . . . . 2.87 111.811 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HG3' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.26 -45.38 34.37 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 111.493 0.182 . . . . 4.4 111.493 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -55.0 -56.48 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 3.0 110.917 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.95 -46.02 74.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 2.94 110.229 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.6 -48.85 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 2.47 110.947 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.62 -43.75 76.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 3.13 110.515 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -49.55 76.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.994 0.426 . . . . 3.09 109.917 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH2' ' SD ' ' A' ' 16' ' ' MET . 8.7 mtp180 -58.28 -50.45 73.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.907 -0.588 . . . . 4.43 110.472 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -55.13 -43.41 74.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.05 -0.523 . . . . 1.9 110.509 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.48 77.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.97 110.439 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -47.86 83.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 2.72 109.852 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.971 ' CD1' ' OE2' ' A' ' 20' ' ' GLU . 81.4 t80 -52.94 -50.57 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 1.19 110.393 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 88' ' ' LEU . 43.3 t -55.24 -52.77 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.48 -0.327 . . . . 1.37 110.345 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.887 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -49.56 -52.96 26.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.278 -0.419 . . . . 1.71 110.113 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.887 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 12.2 m-70 -54.5 -56.98 13.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.791 -0.448 . . . . 2.46 109.791 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.442 ' CH2' ' NZ ' ' A' ' 99' ' ' LYS . 6.9 t90 -44.66 -43.65 8.46 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 2.64 111.496 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -53.3 -53.52 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 2.86 110.786 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HG2' ' N ' ' A' ' 98' ' ' LEU . 1.9 pt-20 -56.67 -43.6 80.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.459 -0.337 . . . . 3.03 111.102 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.551 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -62.41 -45.86 91.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 2.38 110.856 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' NZ ' ' CH2' ' A' ' 95' ' ' TRP . 2.0 tttp -59.0 -45.2 91.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.634 -0.506 . . . . 4.07 109.634 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -55.25 37.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.142 -0.481 . . . . 3.33 109.841 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -47.61 -49.24 27.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.211 -0.449 . . . . 2.59 110.498 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -52.18 39.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.963 0.411 . . . . 2.24 110.548 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.69 68.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.059 -0.519 . . . . 2.56 110.5 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.89 65.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.965 -0.561 . . . . 2.74 110.445 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.513 HH12 ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -52.48 -50.59 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 4.42 110.166 179.348 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.21 -41.51 70.5 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 3.27 112.192 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 4.07 110.579 179.524 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.457 0.17 . . . . 4.11 110.694 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -42.98 95.04 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.701 -0.481 . . . . 3.73 109.701 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -49.42 -53.73 21.23 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.508 -0.552 . . . . 1.14 109.508 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -52.58 -45.11 66.32 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.72 -0.474 . . . . 2.77 109.72 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.023 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.28 -53.49 55.45 Favored 'General case' 0 C--N 1.334 -0.08 0 N-CA-C 109.739 -0.467 . . . . 4.35 109.739 178.556 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.815 ' HA ' ' CG ' ' A' ' 18' ' ' ASP . 3.1 m-20 -52.81 -48.38 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.538 -0.541 . . . . 2.1 109.538 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.6 mtp -51.32 -56.6 12.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.075 -0.511 . . . . 2.23 110.217 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -53.86 -46.91 71.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.134 -0.485 . . . . 2.46 110.002 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.023 ' OD2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -50.86 -48.11 60.24 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.544 -0.539 . . . . 2.49 109.544 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 3.9 tp10 -60.82 -57.97 10.43 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.02 -0.733 . . . . 3.07 109.02 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.51 -38.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.58 -0.737 . . . . 2.5 109.999 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -44.95 95.8 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.022 -0.536 . . . . 1.59 110.106 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.608 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 18.2 t90 -48.97 -45.38 42.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.171 -0.468 . . . . 2.24 109.883 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.023 HG23 HD11 ' A' ' 98' ' ' LEU . 96.5 mt -46.58 -60.02 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.98 0.419 . . . . 1.92 110.089 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -42.11 63.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 3.58 110.951 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.62 -49.54 77.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 3.45 111.072 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.92 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.36 . . . . 2.77 110.194 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -53.75 -41.64 67.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.92 -0.4 . . . . 3.62 109.92 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -67.1 -38.26 85.35 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.107 -0.497 . . . . 3.19 109.945 179.262 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.08 -45.67 86.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.011 -0.541 . . . . 3.08 110.083 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 105' ' ' ARG . 73.7 t -51.46 -50.79 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 2.48 109.881 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -37.59 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 3.01 110.291 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.8 m -61.65 -49.92 74.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.862 -0.608 . . . . 3.19 110.611 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.8 -44.32 81.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.421 . . . . 4.37 110.587 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.937 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.39 -58.22 8.28 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.102 -0.499 . . . . 4.85 110.781 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.937 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 59.8 m-85 -60.13 -40.42 89.69 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.396 -0.366 . . . . 9.52 110.976 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.84 126.84 37.81 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.971 -0.558 . . . . 4.85 112.67 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -131.71 77.6 1.78 Allowed 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.138 0.494 . . . . 7.28 110.635 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -60.26 -26.48 66.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.714 -0.675 . . . . 5.96 109.326 178.577 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER 87.68 30.57 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.275 -0.875 . . . . 5.47 109.934 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' THR . 4.6 t -147.51 102.33 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.249 -0.887 . . . . 4.22 110.464 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.24 -51.64 52.81 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.523 -0.846 . . . . 4.04 112.477 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 43' ' ' GLN . 6.1 m -54.65 -57.04 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.574 0.583 . . . . 4.39 112.574 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.524 ' H ' HG23 ' A' ' 42' ' ' VAL . 1.4 tp-100 -61.38 -44.03 97.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.69 0.281 . . . . 4.24 110.524 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.63 -39.12 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 3.83 110.305 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -64.33 -55.91 18.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.068 -0.515 . . . . 4.27 109.644 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -52.44 -31.86 36.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.773 -0.649 . . . . 5.49 109.967 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -53.99 43.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 4.3 110.244 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -59.16 -38.54 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 4.17 109.801 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -55.52 33.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 3.6 110.477 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.9 70.02 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.336 -0.393 . . . . 3.17 110.614 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' NH2' ' OE2' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -60.31 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 4.13 109.989 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 102' ' ' ALA . 9.0 mt -61.03 -43.69 98.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 2.9 110.234 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.46 79.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.082 -0.508 . . . . 3.17 110.475 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.46 95.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.082 0.468 . . . . 1.35 109.786 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.732 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -55.12 -54.98 36.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 2.6 110.652 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.26 -41.36 96.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.981 -0.554 . . . . 2.67 112.234 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.18 -52.36 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.929 0.395 . . . . 1.37 111.426 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -30.85 37.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.526 . . . . 1.43 112.076 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.712 ' CD2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.07 -25.86 65.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 112.842 0.682 . . . . 2.61 112.842 -178.494 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.588 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -63.03 -62.97 4.68 Favored Pre-proline 0 C--N 1.322 -0.621 0 C-N-CA 118.94 -1.104 . . . . 3.01 108.993 179.302 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.588 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.2 Cg_exo -63.08 -36.54 58.2 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.114 1.876 . . . . 1.6 112.64 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -54.2 8.51 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.641 0.608 . . . . 1.31 112.641 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.712 HD11 ' CD2' ' A' ' 59' ' ' HIS . 3.1 mm -63.7 -46.96 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.386 -0.37 . . . . 1.08 110.847 -179.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -49.18 78.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.737 -0.468 . . . . 3.27 109.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.64 -52.85 14.22 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.085 -0.578 . . . . 1.14 112.599 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 117.205 0.503 . . . . 1.46 110.295 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.47 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -53.84 -50.75 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 2.13 111.129 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.94 -47.53 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 2.24 110.84 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.6 m -59.18 -51.65 69.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.423 -0.353 . . . . 1.02 110.091 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.82 82.85 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.473 -0.87 . . . . 0.79 111.637 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -46.64 65.33 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.979 -0.378 . . . . 3.25 109.979 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -55.61 -58.22 8.7 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.038 -0.528 . . . . 3.71 110.167 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.3 mp -45.04 -38.5 4.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 1.52 111.008 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -32.53 72.95 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.345 0.868 . . . . 1.76 113.345 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -51.42 -24.03 4.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.357 0.502 . . . . 2.34 112.357 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 145.57 -37.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.889 0.476 . . . . 2.89 110.868 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -56.74 152.0 13.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.576 . . . . 4.42 111.345 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m 64.26 108.83 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.771 -0.649 . . . . 4.87 111.561 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.41 146.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.143 -0.48 . . . . 4.56 110.479 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.556 ' O ' ' OE1' ' A' ' 83' ' ' GLU . . . 91.64 -2.01 76.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 2.87 111.886 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -42.26 -45.21 4.09 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 122.1 0.16 . . . . 4.4 111.374 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 82' ' ' GLU . 11.2 mm-40 -52.4 -57.58 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 3.0 110.941 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -53.38 -47.0 69.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.065 0.459 . . . . 2.94 109.823 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.08 -46.3 84.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 2.47 110.175 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.78 -44.44 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.755 -0.657 . . . . 3.13 110.436 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.57 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 3.09 109.849 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -47.5 76.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.867 -0.606 . . . . 4.43 110.634 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.8 tp -57.91 -46.35 85.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 1.9 110.151 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.23 70.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.914 -0.585 . . . . 0.97 110.213 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.47 -47.24 73.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.572 -0.74 . . . . 2.72 109.903 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 7.6 t80 -54.22 -47.92 71.63 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.148 -0.478 . . . . 1.19 109.748 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.0 t -53.62 -53.03 28.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.27 -0.423 . . . . 1.37 109.928 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -50.54 58.64 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.536 -0.542 . . . . 1.71 109.536 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -51.43 -58.4 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.798 -0.637 . . . . 2.46 110.085 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 98' ' ' LEU . 10.7 t90 -52.32 -43.85 64.76 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.184 -0.462 . . . . 2.64 110.834 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -51.84 59.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 2.86 110.461 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.84 -47.51 82.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 3.03 110.442 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.023 HD11 HG23 ' A' ' 23' ' ' ILE . 15.3 mt -56.87 -45.07 82.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 2.38 111.027 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -57.28 -49.63 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 4.07 110.073 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -59.72 -50.49 73.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.897 0.379 . . . . 3.33 110.12 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.5 tp -51.87 -46.07 64.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 2.59 110.527 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -53.54 -52.22 60.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 2.24 110.794 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.79 65.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.137 -0.483 . . . . 2.56 110.876 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.83 87.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 2.74 110.832 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.688 ' HG3' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.89 -42.11 75.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 4.42 110.326 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.39 98.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.004 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.785 0.326 . . . . 4.07 110.316 179.643 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.491 ' ND1' ' N ' ' A' ' 11' ' ' GLN . 20.6 p80 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 111.809 0.3 . . . . 4.11 111.809 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 1.2 mm100 -64.27 -37.48 87.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 3.73 110.496 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -57.17 -44.83 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 1.14 110.034 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -51.97 67.02 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.837 -0.431 . . . . 2.77 109.837 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NH1' ' HA ' ' A' ' 15' ' ' ASP . 5.2 tmm_? -55.71 -49.07 74.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.04 -0.527 . . . . 4.35 109.714 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.461 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 2.2 m-20 -50.35 -54.13 23.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.578 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.1 ttp -54.13 -52.36 61.32 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.869 0.366 . . . . 2.23 110.451 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -54.49 -44.95 73.11 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.582 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.48 -46.66 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.532 -0.304 . . . . 2.49 110.871 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' OE2' ' CZ ' ' A' ' 91' ' ' PHE . 2.6 tm-20 -66.42 -57.8 6.64 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.174 -0.676 . . . . 3.07 109.174 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 1.29 ' OE1' ' HB2' ' A' ' 91' ' ' PHE . 1.1 tp10 -47.56 -36.2 10.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.955 -0.566 . . . . 2.5 109.808 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.456 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -65.71 -46.5 78.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.811 -0.631 . . . . 1.59 109.832 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CD1' ' OE2' ' A' ' 25' ' ' GLU . 19.3 t90 -52.72 -42.2 64.65 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.174 -0.467 . . . . 2.24 109.783 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mt -49.32 -56.61 2.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.021 0.438 . . . . 1.92 110.362 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 12.3 mtmm -50.21 -52.14 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 3.58 111.186 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.804 ' OE2' ' CD1' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -54.83 -46.35 74.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.373 . . . . 3.45 111.353 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.647 ' N ' ' HG2' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -63.28 -47.92 80.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.879 -0.328 . . . . 2.77 110.684 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -41.34 43.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.078 0.466 . . . . 3.62 109.934 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.68 -38.26 83.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 3.19 110.12 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -44.53 96.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.646 -0.706 . . . . 3.08 110.995 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -60.14 -45.21 96.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.754 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.806 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 17.4 m -53.03 -34.46 56.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.12 -0.491 . . . . 3.01 110.635 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 m -80.29 -49.12 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 3.19 110.679 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.83 ' HA ' ' OE1' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -48.86 -47.18 43.03 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.138 -0.483 . . . . 4.37 110.736 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.806 ' OD1' ' O ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -64.26 114.85 4.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 4.85 110.879 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CD2' ' OD2' ' A' ' 34' ' ' ASP . 3.1 m-85 57.67 41.98 24.53 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.719 -0.673 . . . . 9.52 110.709 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.28 -135.8 0.97 Allowed Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.996 -0.547 . . . . 4.85 113.054 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.06 -74.49 0.05 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.999 0.428 . . . . 7.28 110.673 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.79 19.24 0.05 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.719 -0.673 . . . . 5.96 112.331 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 52.78 17.91 0.94 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.036 0.446 . . . . 5.47 110.811 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 24.8 m -168.05 54.26 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 108.705 -0.85 . . . . 4.22 108.705 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.81 -62.2 4.7 Favored Glycine 0 C--O 1.226 -0.378 0 N-CA-C 115.14 0.816 . . . . 4.04 115.14 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.584 HG13 ' H ' ' A' ' 43' ' ' GLN . 7.5 p -53.05 -61.03 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 114.052 1.13 . . . . 4.39 114.052 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.584 ' H ' HG13 ' A' ' 42' ' ' VAL . 30.4 mm-40 -63.79 -37.6 87.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.738 0.273 . . . . 4.24 111.738 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.444 ' CG ' ' HZ2' ' A' ' 48' ' ' LYS . 20.9 t-20 -69.63 -32.78 71.68 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.047 -0.353 . . . . 3.83 110.047 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD21 ' O ' ' A' ' 33' ' ' GLU . 16.2 mt -64.7 -57.4 9.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.393 -0.367 . . . . 4.27 110.289 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -39.2 76.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.915 -0.314 . . . . 5.49 111.215 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -64.57 -47.93 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 4.3 110.089 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HZ2' ' CG ' ' A' ' 44' ' ' ASN . 11.8 mttp -62.01 -40.82 96.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 4.17 110.081 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.91 71.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 3.6 110.236 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -52.15 -41.58 62.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.824 0.345 . . . . 3.17 110.344 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.44 HH11 ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.25 -42.64 88.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 4.13 109.876 179.053 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.34 -49.65 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 2.9 110.447 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.75 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 3.17 110.489 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.36 92.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 1.35 110.156 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.19 -56.33 22.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.597 -0.729 . . . . 2.6 110.602 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.02 -40.34 66.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 2.67 111.616 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -63.0 -50.05 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 1.37 111.19 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.39 -29.79 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.63 0.604 . . . . 1.43 112.63 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 32.3 m-70 -68.33 -49.29 61.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.828 -0.349 . . . . 2.61 110.895 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 3.4 tp10 -38.81 -60.93 1.0 Allowed Pre-proline 0 N--CA 1.463 0.225 0 O-C-N 123.243 0.339 . . . . 3.01 110.685 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 71.5 Cg_exo -38.81 -47.75 2.74 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.839 1.693 . . . . 1.6 111.86 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.879 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -80.47 -28.59 37.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.942 -0.572 . . . . 1.31 112.151 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.504 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 1.3 mm -65.33 -45.6 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.175 -0.676 . . . . 1.08 109.175 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -73.8 -41.13 62.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.244 -1.021 . . . . 3.27 108.244 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.83 -41.17 35.54 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.32 -0.855 . . . . 1.14 111.505 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 62' ' ' ALA . 58.5 t -59.18 -57.85 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 109.488 -0.56 . . . . 1.46 109.488 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.97 -49.12 60.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 2.13 110.19 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.03 -51.55 63.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.716 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 m -56.48 -50.61 71.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.609 -0.515 . . . . 1.02 109.609 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.0 46.64 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 120.415 -0.897 . . . . 0.79 111.213 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -39.14 80.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.638 -0.504 . . . . 3.25 109.638 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -48.93 79.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.565 . . . . 3.71 109.759 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mp -52.31 -43.39 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 1.52 109.779 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.6 t -54.65 -49.35 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 1.76 112.482 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -40.19 96.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.663 0.616 . . . . 2.34 112.663 -177.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.15 -27.98 38.95 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.651 -0.42 . . . . 2.89 111.954 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.5 152.98 12.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.894 0.378 . . . . 4.42 111.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -127.95 34.79 4.55 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.221 -0.445 . . . . 4.87 111.195 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.9 mt -92.01 59.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.037 0.446 . . . . 4.56 110.312 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.569 ' HA2' ' OE2' ' A' ' 83' ' ' GLU . . . 135.61 -8.24 4.28 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.867 -0.606 . . . . 2.87 112.043 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -47.01 -59.31 3.2 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.681 0.277 . . . . 4.4 110.96 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -40.14 -59.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 3.0 111.345 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.569 ' OE2' ' HA2' ' A' ' 80' ' ' GLY . 0.3 OUTLIER -54.48 -47.4 73.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.027 0.442 . . . . 2.94 110.443 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.1 mm -55.92 -44.82 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 2.47 110.502 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -49.67 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 3.13 110.733 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -55.1 -51.16 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.254 -0.43 . . . . 3.09 110.362 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.09 78.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 4.43 110.627 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.4 tp -55.75 -37.9 69.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 1.9 110.626 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.97 110.604 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.39 -45.64 75.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 2.72 109.855 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 1.29 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 27.9 t80 -55.72 -50.35 70.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.686 -0.688 . . . . 1.19 110.376 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.84 -50.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 1.37 110.212 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.13 -50.0 62.59 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.409 -0.36 . . . . 1.71 110.209 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.48 -55.33 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 2.46 109.884 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -51.12 -48.71 61.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.809 -0.632 . . . . 2.64 110.038 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -52.96 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.429 -0.805 . . . . 2.86 111.189 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.6 -42.99 84.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.801 0.334 . . . . 3.03 110.388 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -59.23 -48.7 80.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 2.38 110.278 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -57.49 -48.93 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.635 . . . . 4.07 110.228 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 3.33 110.326 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.33 -46.98 73.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.266 -0.425 . . . . 2.59 109.985 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.05 -51.09 59.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 2.24 110.491 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.29 -50.98 61.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.027 -0.533 . . . . 2.56 110.621 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.87 79.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.968 -0.56 . . . . 2.74 110.236 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' NH2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.96 -41.04 82.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 4.42 110.218 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.22 -39.22 63.64 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.9 -0.667 . . . . 3.27 111.927 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 120.945 0.402 . . . . 4.07 109.999 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.5 t60 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.562 0.22 . . . . 4.11 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -57.87 -46.86 84.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.32 0.581 . . . . 3.73 109.604 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -48.51 -42.98 34.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.666 -0.697 . . . . 1.14 110.612 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.82 -50.51 66.0 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.934 -0.395 . . . . 2.77 109.934 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -47.68 85.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.53 -0.545 . . . . 4.35 109.53 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.63 -49.24 38.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 2.1 110.769 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 13.3 mtm -59.16 -52.28 66.37 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.091 0.472 . . . . 2.23 110.178 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -54.23 -43.79 71.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.038 -0.356 . . . . 2.46 110.038 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -46.44 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 2.49 110.959 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 16' ' ' MET . 16.9 pt-20 -65.09 -53.39 46.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.625 -0.509 . . . . 3.07 109.625 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.542 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -47.96 -43.43 29.35 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.447 -0.575 . . . . 2.5 109.447 177.698 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 2.3 t -59.64 -50.41 73.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.18 -0.464 . . . . 1.59 109.892 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 31.0 t90 -50.35 -45.82 55.3 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 110.065 -0.346 . . . . 2.24 110.065 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 98' ' ' LEU . 4.3 mt -49.31 -58.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 120.806 0.336 . . . . 1.92 110.184 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' A' ' 21' ' ' SER . 8.0 mtmp? -49.15 -49.91 40.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 3.58 110.975 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.63 -47.91 75.83 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.968 -0.56 . . . . 3.45 111.33 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.86 -45.16 90.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.998 -0.371 . . . . 2.77 109.998 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -48.83 -42.3 35.75 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.664 -0.495 . . . . 3.62 109.664 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.4 tm? -57.12 -43.8 82.67 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.01 -0.541 . . . . 3.19 110.012 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.693 HD13 HH22 ' A' ' 51' ' ' ARG . 35.9 mt -55.31 -43.52 74.92 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.026 -0.534 . . . . 3.08 110.304 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 t -53.96 -39.08 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.971 0.415 . . . . 2.48 110.009 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -27.49 65.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.603 -0.726 . . . . 3.01 110.918 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.7 ' OG ' ' OE2' ' A' ' 33' ' ' GLU . 4.5 p -80.86 -35.27 32.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 3.19 110.982 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.7 ' OE2' ' OG ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -77.13 29.44 0.14 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.899 -0.592 . . . . 4.37 111.938 -179.171 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.992 ' OD1' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -83.04 84.52 7.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 4.85 110.392 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' GLY . 39.5 p90 -176.52 -15.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.013 -0.54 . . . . 9.52 110.801 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' TYR . . . 23.16 -95.52 0.01 OUTLIER Glycine 0 C--N 1.339 0.727 0 O-C-N 123.677 0.611 . . . . 4.85 114.447 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.677 ' CD ' ' H ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -29.2 -39.65 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.249 0.62 . . . . 7.28 112.649 -179.383 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.774 ' O ' HG22 ' A' ' 40' ' ' THR . 5.5 t70 44.19 28.18 0.26 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.194 0.442 . . . . 5.96 112.194 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.677 ' H ' ' CD ' ' A' ' 37' ' ' ARG . 2.3 tp 49.18 23.44 0.78 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.334 -0.393 . . . . 5.47 111.943 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 38' ' ' ASP . 3.5 t -171.12 86.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.932 0.396 . . . . 4.22 110.085 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.7 -60.25 8.17 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.028 -0.605 . . . . 4.04 113.673 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 t -46.66 -60.6 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.569 0.581 . . . . 4.39 112.569 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -63.61 -35.45 80.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.299 . . . . 4.24 110.849 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -64.96 -32.49 74.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 3.83 110.306 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 45' ' ' LEU . 9.7 tp -65.22 -60.57 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 4.27 110.111 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH2' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 5.49 110.075 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -50.5 67.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.711 -0.677 . . . . 4.3 110.368 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -59.4 -43.96 92.89 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.467 -0.568 . . . . 4.17 109.467 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 2.2 m-70 -51.01 -53.96 28.76 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.8 -0.636 . . . . 3.6 110.827 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -49.06 -46.36 44.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.879 0.371 . . . . 3.17 110.827 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.693 HH22 HD13 ' A' ' 29' ' ' LEU . 1.4 mtp85 -67.91 -34.31 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 4.13 110.435 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.0 -42.45 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 2.9 110.358 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.723 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -56.15 -51.5 67.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.032 -0.358 . . . . 3.17 110.032 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.49 74.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.216 0.532 . . . . 1.35 109.82 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 22.5 mt-10 -52.24 -53.46 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.376 -0.829 . . . . 2.6 110.499 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 32.0 tp -51.23 -44.72 61.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.998 -0.546 . . . . 2.67 111.176 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.73 23.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 1.37 111.524 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -35.28 29.72 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.506 0.558 . . . . 1.43 112.506 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.619 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 50.0 m80 -62.49 -31.07 71.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.554 0.216 . . . . 2.61 111.506 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -61.5 -65.34 2.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 C-N-CA 119.623 -0.831 . . . . 3.01 110.414 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.1 Cg_exo -59.14 -40.07 73.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.621 1.547 . . . . 1.6 113.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.75 -50.95 12.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.952 0.723 . . . . 1.31 112.952 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -76.78 -39.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.147 0.425 . . . . 1.08 112.147 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 97.0 mt-30 -66.18 -48.16 71.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 120.251 -0.58 . . . . 3.27 109.969 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.58 -49.38 8.66 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.535 -0.84 . . . . 1.14 112.014 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.524 HG21 ' OE1' ' A' ' 19' ' ' GLU . 66.1 t -62.28 -57.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.808 0.299 . . . . 1.46 111.808 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.577 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -53.32 -43.35 67.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.091 -0.244 . . . . 2.13 111.224 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.54 -50.38 73.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.637 -0.256 . . . . 2.24 110.982 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 m -62.47 -48.41 79.73 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.908 -0.405 . . . . 1.02 109.908 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.84 -43.09 60.47 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.478 -0.868 . . . . 0.79 111.331 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -61.66 -37.93 85.88 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 110.065 -0.346 . . . . 3.25 110.065 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.046 -0.524 . . . . 3.71 110.25 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.88 -42.25 79.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.122 0.487 . . . . 1.52 109.792 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 m -60.97 -48.55 81.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.58 -0.736 . . . . 1.76 111.121 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -51.49 -41.23 60.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.882 0.372 . . . . 2.34 110.511 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.574 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 3.2 m-20 -76.88 -32.14 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.862 -0.608 . . . . 2.89 110.11 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.3 t30 77.29 59.6 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.697 -0.683 . . . . 4.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 133.12 44.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 4.87 110.359 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.41 96.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 4.56 110.401 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.92 -16.41 4.23 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.87 112.095 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 84' ' ' ILE . 21.0 pttm -42.61 -41.1 2.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.622 0.248 . . . . 4.4 111.502 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -52.43 -53.41 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.379 . . . . 3.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -45.15 85.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.141 0.496 . . . . 2.94 109.806 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 81' ' ' LYS . 52.3 mt -53.21 -45.95 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 2.47 110.358 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -51.56 -49.23 62.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 3.13 109.919 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 6.3 tp60 -55.62 -48.84 74.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.326 -0.397 . . . . 3.09 110.113 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -54.68 -51.06 66.68 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.073 -0.512 . . . . 4.43 110.417 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.16 -35.49 75.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 1.9 109.928 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 86' ' ' GLN . . . -57.35 -30.01 64.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.001 -0.545 . . . . 0.97 110.95 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -68.68 -48.92 62.7 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.314 -0.403 . . . . 2.72 109.947 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 3.7 t80 -53.78 -46.89 71.16 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.119 -0.697 . . . . 1.19 109.119 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.31 -54.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.739 -0.664 . . . . 1.37 110.421 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.956 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.98 -48.53 43.24 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 109.573 -0.528 . . . . 1.71 109.573 179.068 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.956 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -52.02 -59.57 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.522 -0.547 . . . . 2.46 109.522 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.499 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 22.3 t90 -45.69 -46.61 14.91 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.864 -0.607 . . . . 2.64 109.853 178.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.11 -51.35 32.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.411 -0.813 . . . . 2.86 110.676 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.707 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -54.21 -48.75 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 3.03 110.552 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.494 HD11 HG23 ' A' ' 23' ' ' ILE . 7.9 mt -55.92 -45.51 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 2.38 110.277 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -56.68 -51.81 67.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.001 -0.545 . . . . 4.07 109.782 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.72 -52.89 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 3.33 110.136 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mp -51.09 -48.16 61.73 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.264 -0.425 . . . . 2.59 110.611 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.16 66.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.24 -0.436 . . . . 2.24 110.883 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.98 98.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 2.56 110.774 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.65 82.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 2.74 110.926 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -59.7 -47.74 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 4.42 110.986 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.91 92.68 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.713 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.768 0.318 . . . . 4.07 111.176 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 t60 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.494 0.188 . . . . 4.11 111.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -60.5 -49.5 77.29 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.907 -0.405 . . . . 3.73 109.907 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 73' ' ' LEU . 25.3 t80 -50.94 -32.92 22.35 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 109.396 -0.594 . . . . 1.14 109.396 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.92 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -52.76 -46.84 67.69 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.504 -0.925 . . . . 2.77 108.504 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.718 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 3.5 tpt180 -59.87 -48.43 81.72 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.196 -1.039 . . . . 4.35 108.196 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -51.41 -42.26 61.34 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.805 -0.634 . . . . 2.1 109.928 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.8 -56.22 19.46 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.357 -0.609 . . . . 2.23 109.357 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.06 -47.21 71.89 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.664 -0.865 . . . . 2.46 108.664 177.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 99.7 m-20 -51.01 -41.25 59.66 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.794 -0.447 . . . . 2.49 109.794 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 1.206 ' OE2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.0 -66.97 0.31 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.491 0.662 . . . . 3.07 109.367 178.684 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -49.68 -35.12 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.714 -1.13 . . . . 2.5 110.182 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 1.2 m -59.61 -35.52 74.5 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.767 -0.651 . . . . 1.59 109.76 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.645 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 55.8 t-105 -53.77 -59.87 4.05 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.174 -0.676 . . . . 2.24 109.174 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.0 mt -39.12 -53.43 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-N 116.241 -0.436 . . . . 1.92 110.473 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -55.02 -50.65 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.438 . . . . 3.58 110.836 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.43 -42.29 86.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 3.45 111.308 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.386 ' CE ' ' OE2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.37 -44.94 74.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.855 -0.424 . . . . 2.77 109.855 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -41.31 48.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.215 -0.661 . . . . 3.62 109.215 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.97 -47.66 74.27 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.864 -0.607 . . . . 3.19 109.849 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.577 HD22 ' CD ' ' A' ' 55' ' ' GLU . 2.7 tp -55.46 -47.48 76.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.845 -0.616 . . . . 3.08 109.842 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.15 -36.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 2.48 110.266 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -34.72 74.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.895 -0.593 . . . . 3.01 110.338 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -80.28 -38.63 30.43 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.549 . . . . 3.19 109.896 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' CG ' ' HB3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER 58.89 22.01 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.391 -0.822 . . . . 4.37 112.026 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 56.12 17.53 2.75 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.28 0.474 . . . . 4.85 112.28 179.159 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -52.42 148.78 6.36 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.672 0.272 . . . . 9.52 110.609 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.35 94.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.727 . . . . 4.85 112.632 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.09 88.02 0.05 OUTLIER 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.109 0.48 . . . . 7.28 111.392 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.686 ' C ' ' OD1' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -101.73 -21.68 14.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.707 -0.679 . . . . 5.96 110.605 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.598 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 63.7 mt -42.35 -46.14 4.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.002 -0.545 . . . . 5.47 111.356 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 t -75.74 69.31 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.796 -0.446 . . . . 4.22 109.796 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.92 -40.76 0.83 Allowed Glycine 0 C--O 1.225 -0.424 0 C-N-CA 121.236 -0.507 . . . . 4.04 113.676 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 ' H ' ' A' ' 43' ' ' GLN . 6.5 m -57.29 -60.65 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 117.157 0.479 . . . . 4.39 111.816 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.641 ' H ' HG23 ' A' ' 42' ' ' VAL . 9.0 mm100 -66.18 -26.79 67.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 4.24 109.985 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.564 ' ND2' ' HB2' ' A' ' 38' ' ' ASP . 41.1 t-20 -66.08 -44.36 84.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 3.83 110.48 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.07 -53.96 48.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.909 -0.404 . . . . 4.27 109.909 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.73 75.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 5.49 110.148 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.563 . . . . 4.3 110.084 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.17 -53.85 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 4.17 109.916 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.29 -47.71 62.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.081 -0.508 . . . . 3.6 110.237 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -45.33 71.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.948 -0.569 . . . . 3.17 110.428 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -59.61 -41.8 91.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.13 -0.487 . . . . 4.13 110.002 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.23 -56.51 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.568 -0.742 . . . . 2.9 110.477 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -45.75 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 3.17 110.359 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.57 81.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 1.35 110.188 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 1.386 ' OE2' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.56 -55.76 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 2.6 110.88 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.15 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.14 -38.3 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 1.37 110.941 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.39 -25.66 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 1.43 111.796 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.645 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 26.5 m80 -72.99 -41.01 64.77 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.503 -0.317 . . . . 2.61 111.217 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -53.99 -61.34 5.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 3.01 111.524 -178.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 44.5 Cg_exo -57.33 -51.32 8.78 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.205 1.937 . . . . 1.6 112.796 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.14 64.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.092 -0.503 . . . . 1.31 112.033 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.5 -57.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.936 -0.574 . . . . 1.08 111.202 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 1.4 mp0 -47.2 -48.93 23.76 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.271 -0.422 . . . . 3.27 110.7 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.61 -55.22 7.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.607 -0.806 . . . . 1.14 112.277 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' HG3' ' A' ' 19' ' ' GLU . 92.0 t -59.0 -50.11 80.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.021 0.438 . . . . 1.46 110.787 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.81 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 2.13 110.848 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -51.97 -49.22 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.24 110.639 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 m -57.96 -51.82 68.05 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.791 0.329 . . . . 1.02 110.503 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.08 -38.04 83.36 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.356 -0.926 . . . . 0.79 111.809 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -63.67 -35.35 80.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.69 -0.485 . . . . 3.25 109.69 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -47.35 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.296 -0.411 . . . . 3.71 109.996 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.558 HD11 ' CD2' ' A' ' 12' ' ' PHE . 1.8 mt -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 1.52 109.474 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.0 m -60.93 -47.97 83.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.215 -0.902 . . . . 1.76 112.032 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -47.48 -59.72 3.04 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.199 -0.455 . . . . 2.34 112.204 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -36.38 61.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.35 . . . . 2.89 111.738 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -54.91 -53.69 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 4.42 111.451 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m 73.86 -65.23 0.36 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.226 -0.443 . . . . 4.87 110.536 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.31 100.05 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 4.56 110.375 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.37 -25.44 2.48 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 111.433 -0.667 . . . . 2.87 111.433 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -46.17 -38.42 8.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.664 0.268 . . . . 4.4 110.97 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.6 -50.89 52.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 3.0 110.722 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -49.42 72.7 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.336 -0.393 . . . . 2.94 110.029 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.68 -49.49 56.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 2.47 110.328 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.31 -49.07 64.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 3.13 110.205 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -49.22 76.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 3.09 110.046 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -51.4 67.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 4.43 110.937 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.538 HD21 HG12 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.93 -38.27 78.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.41 . . . . 1.9 110.107 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.3 69.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.856 -0.611 . . . . 0.97 110.843 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -66.96 -43.34 83.34 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.143 -0.48 . . . . 2.72 110.097 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 19' ' ' GLU . 80.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.571 -0.529 . . . . 1.19 109.571 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 88' ' ' LEU . 18.2 t -53.7 -52.68 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 1.37 109.84 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.7 OUTLIER -46.3 -55.29 7.46 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.164 -0.471 . . . . 1.71 110.337 178.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.629 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 43.7 m80 -54.87 -56.75 16.08 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.815 -0.439 . . . . 2.46 109.815 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.616 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 25.7 t90 -46.05 -42.94 14.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.819 -0.628 . . . . 2.64 110.282 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -59.81 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 2.86 110.391 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.942 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -49.84 -46.08 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 3.03 110.457 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -59.21 -47.11 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.312 -0.404 . . . . 2.38 110.509 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -47.36 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 4.07 110.059 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.65 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 3.33 110.378 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.942 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 24.0 mt -53.34 -46.0 69.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.556 -0.293 . . . . 2.59 110.662 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.46 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 2.24 110.881 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.88 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.595 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.83 75.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.903 -0.589 . . . . 2.74 110.859 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.414 ' HB3' ' CG ' ' A' ' 33' ' ' GLU . 9.6 mmm180 -57.97 -43.35 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 4.42 110.094 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.74 -27.78 20.96 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.844 -0.616 . . . . 3.27 113.144 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 112.032 0.382 . . . . 4.07 112.032 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 4.11 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.27 -42.83 92.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 3.73 110.703 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.732 ' CD2' HD11 ' A' ' 73' ' ' LEU . 41.1 t80 -54.67 -44.84 73.69 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.582 -0.447 . . . . 1.14 110.814 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -49.19 -51.92 29.86 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.569 -0.453 . . . . 2.77 110.003 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -52.76 64.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.35 110.248 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.3 -44.78 54.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.855 0.36 . . . . 2.1 110.721 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.4 tpt -54.93 -58.71 6.51 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.139 -0.482 . . . . 2.23 110.798 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -46.22 81.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.808 -0.357 . . . . 2.46 110.374 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -42.33 71.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.699 0.285 . . . . 2.49 110.396 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 14.7 tt0 -64.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.539 . . . . 3.07 109.597 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' OE2' ' HD2' ' A' ' 94' ' ' HIS . 2.2 tm-20 -46.67 -37.36 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.733 -0.667 . . . . 2.5 109.654 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -51.33 69.76 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.811 -0.632 . . . . 1.59 109.762 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 18.0 t90 -49.58 -45.63 48.06 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 116.272 -0.422 . . . . 2.24 109.963 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.563 HG22 ' N ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -46.48 -56.13 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-O 120.902 0.382 . . . . 1.92 110.528 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.563 ' N ' HG22 ' A' ' 23' ' ' ILE . 2.9 mttp -58.18 -42.35 85.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.32 -0.4 . . . . 3.58 110.825 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.8 -41.7 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 3.45 111.157 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.78 -52.1 61.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.003 -0.279 . . . . 2.77 110.282 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.91 -43.53 63.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.92 0.39 . . . . 3.62 110.782 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.63 -34.24 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 3.19 110.421 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.45 -36.5 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.862 -0.608 . . . . 3.08 110.771 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 26' ' ' LYS . 2.7 t -59.57 -50.15 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 120.966 0.413 . . . . 2.48 110.886 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.511 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 15.0 m -51.25 -36.48 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 3.01 111.347 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.01 -53.41 6.44 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.384 0.513 . . . . 3.19 112.384 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 9.4 pt-20 -54.26 -36.62 63.79 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 4.37 111.514 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.511 ' OD1' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -73.76 128.96 36.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 4.85 111.628 -179.427 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -177.44 176.68 1.27 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.608 -0.723 . . . . 9.52 109.509 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.01 165.91 24.17 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.589 -0.815 . . . . 4.85 113.213 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' ASP . 8.7 tpp180 -153.63 85.45 1.18 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 110.347 -0.242 . . . . 7.28 110.347 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -19.69 -74.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.847 0.684 . . . . 5.96 112.847 -179.565 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mp -30.58 -46.01 0.07 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.595 0.591 . . . . 5.47 112.595 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 m -140.66 55.89 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.35 -0.386 . . . . 4.22 110.197 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.99 -61.17 7.82 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 121.115 -0.564 . . . . 4.04 114.026 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 43' ' ' GLN . 10.0 m -52.7 -58.02 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.276 0.472 . . . . 4.39 112.276 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.546 ' H ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -57.5 -42.25 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.602 0.239 . . . . 4.24 110.757 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -59.15 -46.23 88.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.526 -0.306 . . . . 3.83 110.48 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD23 ' NZ ' ' A' ' 48' ' ' LYS . 23.5 mt -61.51 -50.53 72.35 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 4.27 110.355 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -55.86 -35.15 66.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.207 -0.452 . . . . 5.49 110.047 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -46.14 91.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.015 -0.539 . . . . 4.3 109.797 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' NZ ' HD23 ' A' ' 45' ' ' LEU . 8.5 mtmt -57.4 -51.65 68.56 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.171 -0.677 . . . . 4.17 109.171 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -48.11 65.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.546 -0.752 . . . . 3.6 110.325 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -46.56 31.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.254 -0.43 . . . . 3.17 110.555 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -40.14 96.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.075 0.464 . . . . 4.13 109.98 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.444 HD22 HH21 ' A' ' 105' ' ' ARG . 4.9 tp -59.38 -49.15 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.654 . . . . 2.9 110.059 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.35 -50.86 49.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.33 -0.396 . . . . 3.17 110.273 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.39 -51.69 61.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.332 -0.394 . . . . 1.35 109.982 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -51.09 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.493 -0.558 . . . . 2.6 109.493 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -39.85 -45.63 1.84 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.594 -0.73 . . . . 2.67 111.305 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.77 88.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.913 0.387 . . . . 1.37 111.049 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.25 -20.77 11.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.43 112.168 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.627 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 17.8 m80 -62.86 -31.04 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.533 0.197 . . . . 2.61 111.533 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.596 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 3.3 mp0 -64.71 -62.45 4.91 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.429 -0.508 . . . . 3.01 110.91 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -56.23 -41.05 80.61 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 121.433 1.422 . . . . 1.6 112.486 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.69 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.168 0.803 . . . . 1.31 113.168 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 59' ' ' HIS . 90.5 mt -76.66 -39.55 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.097 0.406 . . . . 1.08 112.097 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -56.0 -46.81 78.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.362 -0.236 . . . . 3.27 110.362 179.312 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.05 15.88 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 120.358 -0.925 . . . . 1.14 111.214 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.76 -52.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 1.46 109.861 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 tp -51.78 -52.56 48.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 2.13 110.307 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -48.98 67.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 2.24 110.489 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.0 m -56.96 -47.45 80.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.05 0.453 . . . . 1.02 109.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' HA2' ' HG ' ' A' ' 73' ' ' LEU . . . -56.6 -39.38 85.32 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.567 -0.825 . . . . 0.79 111.949 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.661 ' O ' ' OD2' ' A' ' 75' ' ' ASP . 11.0 mtpt -57.05 -40.59 77.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.587 -0.523 . . . . 3.25 109.587 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.695 ' HA ' ' OD2' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -56.47 -44.94 81.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.839 -0.618 . . . . 3.71 110.344 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.732 HD11 ' CD2' ' A' ' 12' ' ' PHE . 10.7 mt -51.39 -51.56 53.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 1.52 109.987 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 m -58.46 -40.78 83.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 1.76 110.405 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.695 ' OD2' ' HA ' ' A' ' 72' ' ' LYS . 19.4 m-20 -57.46 -37.01 72.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.797 -0.638 . . . . 2.34 111.273 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.86 26.21 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.478 -0.328 . . . . 2.89 111.394 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -145.88 121.93 10.74 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.904 0.383 . . . . 4.42 111.097 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 79' ' ' ILE . 5.3 t -67.99 -52.59 33.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 4.87 110.526 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.462 ' N ' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -67.78 101.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.968 -0.56 . . . . 4.56 110.498 179.444 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.04 -38.84 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.008 -0.615 . . . . 2.87 111.743 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -48.36 -41.4 28.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.73 0.3 . . . . 4.4 110.665 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -51.2 -55.62 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 3.0 110.877 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.31 78.0 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.182 0.515 . . . . 2.94 109.943 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.584 HD13 HD12 ' A' ' 73' ' ' LEU . 77.5 mt -52.27 -49.11 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 2.47 110.379 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.2 -47.06 69.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 3.13 110.537 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.05 -49.18 74.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 3.09 110.161 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.752 HH21 HE21 ' A' ' 90' ' ' GLN . 9.7 mmp_? -57.7 -51.42 69.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.058 -0.519 . . . . 4.43 110.498 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 tp -54.32 -41.45 69.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.521 . . . . 1.9 110.088 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.609 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -56.21 -36.81 68.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.97 110.45 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.752 HE21 HH21 ' A' ' 87' ' ' ARG . 3.1 tt0 -64.32 -45.19 88.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 2.72 110.305 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 25.5 t80 -59.79 -46.71 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 1.19 110.526 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -58.37 -44.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.324 -0.398 . . . . 1.37 110.546 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 1.026 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.94 -51.56 56.16 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.589 -0.523 . . . . 1.71 109.589 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.026 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.3 m-70 -50.52 -57.9 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 2.46 110.253 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.426 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 10.4 t90 -50.51 -44.83 56.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 2.64 110.833 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 5.2 mtmm -50.5 -49.86 54.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.53 -0.305 . . . . 2.86 110.495 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.38 -49.45 64.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 3.03 110.076 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.53 80.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.38 110.602 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.38 -46.89 79.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.849 -0.426 . . . . 4.07 109.849 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -55.77 24.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.978 -0.556 . . . . 3.33 109.825 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.7 tp -49.22 -50.26 39.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.562 . . . . 2.59 110.097 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.87 -47.76 67.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.072 -0.513 . . . . 2.24 110.337 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.62 67.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.965 -0.561 . . . . 2.56 109.978 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.85 85.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 2.74 110.247 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.444 HH21 HD22 ' A' ' 52' ' ' LEU . 3.8 tmm_? -50.33 -40.13 48.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.944 -0.571 . . . . 4.42 110.032 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.83 -34.67 83.31 Favored Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.81 -0.632 . . . . 3.27 112.224 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 4.07 110.74 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.1 m80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.833 0.349 . . . . 4.11 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.52 -50.75 72.62 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.743 -0.836 . . . . 3.73 108.743 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -48.31 23.0 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.127 -0.694 . . . . 1.14 109.127 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -50.89 -51.1 55.03 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.38 -0.6 . . . . 2.77 109.38 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -57.71 -52.16 66.57 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.676 -0.49 . . . . 4.35 109.676 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.58 -49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.781 -0.451 . . . . 2.1 109.781 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 1.459 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 4.0 ttp -56.62 -52.72 63.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.071 0.462 . . . . 2.23 110.18 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.48 -44.71 62.54 Favored 'General case' 0 C--N 1.335 -0.062 0 N-CA-C 109.608 -0.515 . . . . 2.46 109.608 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -49.47 64.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 2.49 109.408 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 1.459 ' OE1' ' CA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -59.7 -52.08 67.02 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.103 -0.702 . . . . 3.07 109.103 178.154 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.849 ' OE1' ' HA ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -42.53 -48.11 5.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.839 -0.619 . . . . 2.5 109.525 178.714 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -61.83 -49.54 75.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.437 -0.579 . . . . 1.59 109.437 178.468 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.655 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 2.4 t90 -51.05 -38.26 50.43 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.944 -0.571 . . . . 2.24 109.987 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 23' ' ' ILE . 1.9 mm -58.9 -57.27 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 1.92 109.983 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 3.7 mtmm -52.86 -42.88 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.297 0.57 . . . . 3.58 109.918 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.37 -35.73 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.24 -0.891 . . . . 3.45 110.803 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 10.6 tptp -68.26 -42.06 80.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.006 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -56.24 -45.12 80.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.084 -0.507 . . . . 3.62 110.399 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.2 -43.88 92.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.209 0.528 . . . . 3.19 110.503 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.61 -46.9 87.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 3.08 110.742 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG22 ' HZ3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -56.3 -44.11 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.708 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 m -56.32 -34.0 66.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 3.01 111.216 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -76.55 -51.43 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 3.19 111.195 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.09 -43.12 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 4.37 111.371 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.817 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.22 68.37 3.33 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.998 0.428 . . . . 4.85 111.035 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -163.71 -66.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.65 -0.705 . . . . 9.52 110.124 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.49 -148.48 49.83 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.923 -0.656 . . . . 4.85 112.977 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HD3' ' H ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -92.73 135.92 33.69 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.478 0.18 . . . . 7.28 110.773 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' A' ' 40' ' ' THR . 5.8 t70 -36.96 -61.72 0.53 Allowed 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.255 0.465 . . . . 5.96 112.255 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' H ' ' HD3' ' A' ' 37' ' ' ARG . 3.8 mm? -69.9 18.25 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.225 0.454 . . . . 5.47 112.225 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 38' ' ' ASP . 3.1 m -152.87 13.23 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.735 0.302 . . . . 4.22 110.243 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.73 -55.0 25.31 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.967 -0.635 . . . . 4.04 112.91 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.56 -59.47 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.727 0.269 . . . . 4.39 111.727 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.77 -32.69 69.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.744 0.307 . . . . 4.24 111.15 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -70.29 -39.32 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 3.83 110.269 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD21 ' OD1' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -63.56 -51.25 66.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 4.27 109.699 179.497 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -53.93 -47.54 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 5.49 110.807 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -62.9 -46.69 86.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 4.3 110.262 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HZ3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.3 -45.48 84.12 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.714 -0.476 . . . . 4.17 109.714 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' HH22 ' A' ' 105' ' ' ARG . 7.5 t-80 -48.4 -54.11 15.25 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.427 . . . . 3.6 110.134 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -46.37 64.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.908 -0.587 . . . . 3.17 109.964 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -69.31 -25.8 64.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 4.13 110.329 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -46.79 85.72 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.101 -0.499 . . . . 2.9 109.929 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.48 -47.7 69.55 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.505 -0.554 . . . . 3.17 109.505 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.28 71.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.88 -0.6 . . . . 1.35 109.953 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.04 -56.72 12.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.803 -0.635 . . . . 2.6 110.442 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.753 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 14.5 mt -55.56 -36.84 67.26 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.285 -0.416 . . . . 2.67 111.216 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -56.92 -36.65 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 1.37 111.406 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.87 -33.59 30.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.309 . . . . 1.43 111.816 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.756 ' O ' HD12 ' A' ' 63' ' ' ILE . 1.5 m80 -73.36 -23.25 60.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 2.61 111.509 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.753 ' OE1' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -68.21 -61.57 3.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.57 -0.286 . . . . 3.01 110.269 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 38.4 Cg_exo -58.67 -34.36 98.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.305 2.003 . . . . 1.6 111.748 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.83 10.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 1.31 111.258 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.0 mt -66.59 -46.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.08 111.157 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.13 -52.77 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 3.27 110.465 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.95 -46.91 32.41 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.745 -0.741 . . . . 1.14 111.69 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.176 HG21 ' OE2' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -61.96 -47.13 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.986 -0.376 . . . . 1.46 109.986 179.454 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 88' ' ' LEU . 7.5 tt -51.8 -52.88 45.85 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.849 -0.426 . . . . 2.13 109.849 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.03 -49.27 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 2.24 110.1 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -51.35 -49.04 62.22 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.372 -0.376 . . . . 1.02 110.338 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 73' ' ' LEU . . . -51.72 -50.48 43.1 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.249 -0.977 . . . . 0.79 111.28 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -57.06 -34.85 68.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.14 0.495 . . . . 3.25 109.687 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -50.64 73.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.649 -0.705 . . . . 3.71 110.439 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' HA2' ' A' ' 70' ' ' GLY . 15.8 mt -49.84 -41.09 44.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.11 0.481 . . . . 1.52 110.405 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -58.55 -48.83 79.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.757 -0.656 . . . . 1.76 111.675 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -38.34 90.75 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.066 -0.254 . . . . 2.34 111.178 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.09 -47.37 86.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.094 0.474 . . . . 2.89 110.324 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -158.11 87.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.67 -0.695 . . . . 4.42 110.078 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.22 136.75 48.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 4.87 111.305 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 mt -141.03 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.763 -0.653 . . . . 4.56 109.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.4 56.85 0.6 Allowed Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.7 -0.682 . . . . 2.87 111.913 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.3 -46.07 3.15 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.843 0.312 . . . . 4.4 111.843 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.9 pm0 -59.08 -49.35 78.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 3.0 110.598 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -53.22 -48.67 67.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.969 0.414 . . . . 2.94 110.246 179.28 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.23 -52.86 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 2.47 110.132 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -51.86 -41.64 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.834 -0.621 . . . . 3.13 110.702 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -61.15 -50.33 73.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 3.09 110.72 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.4 ' NH1' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.79 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 4.43 111.053 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -66.72 -35.8 80.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.976 0.417 . . . . 1.9 110.449 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.507 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -56.37 -39.89 73.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.97 110.434 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -58.4 -48.64 79.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.106 0.479 . . . . 2.72 110.295 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.849 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 2.7 t80 -52.26 -51.65 57.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.619 . . . . 1.19 111.166 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -60.3 -44.84 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.677 -0.409 . . . . 1.37 110.449 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.818 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.3 -50.88 61.31 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.616 0.246 . . . . 1.71 110.46 179.034 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.818 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.5 t-80 -59.06 -50.74 72.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.037 0.446 . . . . 2.46 110.053 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -52.87 -44.04 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.712 -0.676 . . . . 2.64 110.109 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -56.66 18.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 2.86 109.579 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -47.88 -46.84 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 3.03 110.081 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -55.79 29.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.945 -0.57 . . . . 2.38 110.442 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -45.66 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 4.07 109.824 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.95 -53.41 58.31 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.854 -0.612 . . . . 3.33 110.08 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.13 -43.67 52.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.968 -0.56 . . . . 2.59 110.248 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.29 -55.02 32.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 2.24 110.462 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.26 -49.58 52.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 2.56 110.686 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.89 96.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.932 -0.577 . . . . 2.74 110.928 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NE ' ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -58.07 -36.98 73.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 4.42 110.292 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.437 ' N ' ' NE ' ' A' ' 105' ' ' ARG . . . -54.86 -46.26 77.06 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.899 -0.667 . . . . 3.27 112.21 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.817 0.342 . . . . 4.07 110.693 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.649 0.261 . . . . 4.11 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -59.96 -51.61 68.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.834 0.349 . . . . 3.73 110.17 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.685 ' HB2' HD21 ' A' ' 73' ' ' LEU . 52.5 t80 -50.55 -35.39 29.51 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.576 -0.45 . . . . 1.14 110.095 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 1.17 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -49.97 -46.78 52.77 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.859 -0.793 . . . . 2.77 108.859 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 1.069 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -61.66 -50.66 71.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.706 -0.679 . . . . 4.35 109.256 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.432 ' HB3' HG13 ' A' ' 66' ' ' VAL . 1.1 m-20 -49.82 -51.18 41.81 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.945 0.402 . . . . 2.1 110.382 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.511 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -51.25 -56.43 12.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.185 0.516 . . . . 2.23 110.089 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 1.17 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.61 -49.83 69.52 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.069 -0.514 . . . . 2.46 109.857 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.91 -44.26 50.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 2.49 110.464 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.669 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -49.27 -61.95 1.81 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.846 -0.616 . . . . 3.07 111.26 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 6.2 tp10 -64.8 -38.88 92.46 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.536 -0.542 . . . . 2.5 109.536 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -28.13 63.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.599 -0.728 . . . . 1.59 110.102 179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 18.6 t-105 -57.28 -58.53 7.83 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 120.167 -0.613 . . . . 2.24 109.58 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -44.44 -56.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.92 110.538 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -52.57 62.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 3.58 112.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -27.9 68.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.342 -0.39 . . . . 3.45 111.911 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -42.96 39.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.604 -0.517 . . . . 2.77 109.604 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -55.18 -40.91 71.23 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.674 -0.491 . . . . 3.62 109.674 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.67 88.91 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.966 -0.561 . . . . 3.19 110.072 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.44 -46.12 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.948 -0.569 . . . . 3.08 110.067 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -60.22 -43.31 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.543 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -53.65 -36.1 61.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.198 -0.456 . . . . 3.01 110.304 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -77.88 -59.9 2.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.831 -0.622 . . . . 3.19 110.3 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG3' HH21 ' A' ' 51' ' ' ARG . 3.0 tp10 73.39 -66.41 0.31 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.868 -0.605 . . . . 4.37 111.359 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.958 ' CG ' ' H ' ' A' ' 35' ' ' TYR . 1.9 p-10 -147.97 -79.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.39 . . . . 4.85 110.385 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.958 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 56.7 m-85 -127.48 27.68 5.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.022 -0.535 . . . . 9.52 110.258 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.64 17.71 6.9 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 115.786 -0.643 . . . . 4.85 113.563 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -174.99 -53.01 0.01 OUTLIER 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.984 0.392 . . . . 7.28 111.098 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 1.284 ' OD1' ' CG2' ' A' ' 40' ' ' THR . 0.0 OUTLIER 58.84 4.39 0.39 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.873 -0.603 . . . . 5.96 111.989 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 tp 51.28 28.26 4.12 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.868 0.366 . . . . 5.47 110.913 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.284 ' CG2' ' OD1' ' A' ' 38' ' ' ASP . 11.6 t -169.96 99.1 0.3 Allowed 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 116.292 -0.413 . . . . 4.22 110.593 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.97 -48.85 79.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 4.04 112.968 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.2 t -57.27 -60.15 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.248 0.462 . . . . 4.39 112.248 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -41.16 77.91 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.923 -0.311 . . . . 4.24 110.476 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 1.204 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 44.3 t30 -59.86 -47.26 86.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.207 -0.451 . . . . 3.83 110.616 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.45 -48.82 80.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.29 -0.414 . . . . 4.27 109.923 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -52.04 -40.36 60.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 5.49 110.029 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -42.02 92.67 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.905 -0.589 . . . . 4.3 110.012 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HZ2' ' HG3' ' A' ' 48' ' ' LYS . 8.7 tttp -57.04 -46.45 82.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.121 -0.491 . . . . 4.17 110.088 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -54.09 -55.79 24.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.118 -0.492 . . . . 3.6 110.607 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -58.62 -36.13 73.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 3.17 110.504 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.412 HH21 ' HG3' ' A' ' 33' ' ' GLU . 3.0 ttm-85 -69.98 -31.35 69.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.953 -0.567 . . . . 4.13 110.153 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.04 -50.42 73.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 2.9 110.001 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.24 -54.59 24.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 3.17 109.933 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.06 72.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 1.35 110.403 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.898 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.82 -50.38 63.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.831 -0.622 . . . . 2.6 110.541 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 56' ' ' LEU . 8.6 tt -53.54 -41.5 66.48 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.013 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.21 94.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 1.37 110.954 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.22 -20.56 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 1.43 111.412 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 m80 -66.58 -41.6 88.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 2.61 111.836 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -62.91 -60.46 9.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 121.034 -0.266 . . . . 3.01 111.436 -178.614 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.5 Cg_exo -53.14 -42.92 61.32 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.25 1.967 . . . . 1.6 112.434 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 -60.69 3.1 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 1.31 111.854 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.584 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 3.2 mp -63.74 -41.95 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.08 111.158 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -55.79 -45.18 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.573 -0.285 . . . . 3.27 110.459 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.15 -47.78 15.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.671 . . . . 1.14 112.114 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 15' ' ' ASP . 48.1 t -63.07 -51.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.889 0.376 . . . . 1.46 110.183 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.709 HD23 HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -49.37 -55.05 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 2.13 110.251 179.216 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.622 ' N ' HD13 ' A' ' 67' ' ' LEU . 30.7 t70 -50.68 -54.33 23.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.426 . . . . 2.24 110.578 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.4 m -52.3 -47.55 65.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.898 0.38 . . . . 1.02 110.257 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.91 -45.56 49.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.356 -0.926 . . . . 0.79 111.56 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -61.72 -37.84 85.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.05 -0.352 . . . . 3.25 110.05 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 5.2 mmtm -53.1 -46.14 68.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.208 -0.451 . . . . 3.71 110.737 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 12' ' ' PHE . 3.6 mt -50.78 -50.16 56.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.192 0.52 . . . . 1.52 110.066 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 1.76 111.448 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.32 -23.36 62.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 2.34 112.083 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.597 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 23.3 m-20 -82.58 -53.12 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.572 0.212 . . . . 2.89 111.572 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.7 p30 179.82 -32.23 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.616 0.246 . . . . 4.42 110.919 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.413 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 8.9 m -75.57 68.63 2.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.349 -0.387 . . . . 4.87 110.545 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mt -63.03 91.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.24 -0.436 . . . . 4.56 111.178 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.0 30.92 2.42 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.899 -0.591 . . . . 2.87 111.913 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -40.73 -59.41 1.4 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.217 0.451 . . . . 4.4 112.217 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -47.36 -52.35 16.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 3.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.37 -49.91 66.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.36 -0.382 . . . . 2.94 110.728 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.13 -44.86 88.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.992 0.425 . . . . 2.47 110.231 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.06 -46.78 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 3.13 110.789 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -54.27 -54.69 36.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 3.09 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 4.43 111.043 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 92' ' ' VAL . 11.6 tp -64.69 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.412 -0.358 . . . . 1.9 110.773 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.41 72.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.515 -0.311 . . . . 0.97 110.542 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.32 -48.42 64.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 2.72 109.949 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.669 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -57.88 -49.96 74.94 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.845 -0.616 . . . . 1.19 110.031 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 88' ' ' LEU . 4.6 t -60.19 -45.35 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.37 110.009 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -50.75 -51.48 49.77 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.21 -0.45 . . . . 1.71 110.55 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.2 -47.19 77.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.513 0.673 . . . . 2.46 109.469 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.544 ' CZ2' ' HB3' ' A' ' 59' ' ' HIS . 5.4 t-105 -54.49 -36.76 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.926 -1.034 . . . . 2.64 112.154 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -64.9 -47.69 76.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.745 -0.382 . . . . 2.86 110.907 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 2.0 pt-20 -61.9 -36.29 80.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.801 -0.444 . . . . 3.03 109.801 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 3.6 mp -61.55 -56.32 21.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 2.38 110.352 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -53.0 -46.94 68.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.8 -0.444 . . . . 4.07 109.8 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.15 -55.83 26.72 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.18 -0.464 . . . . 3.33 110.362 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.98 -46.58 61.4 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.413 -0.358 . . . . 2.59 110.482 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.11 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 2.24 110.619 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -46.72 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 2.56 110.829 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.7 86.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 2.74 110.646 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -45.0 81.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 4.42 110.466 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.41 -31.72 74.46 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.994 -0.622 . . . . 3.27 112.535 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 4.07 110.552 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.998 0.428 . . . . 4.11 110.213 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -50.1 -48.84 53.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 3.73 110.846 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 21.0 t80 -52.43 -49.84 63.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 120.305 -0.558 . . . . 1.14 109.843 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.88 -49.0 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 2.77 109.731 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -61.67 -50.7 71.45 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.661 -0.699 . . . . 4.35 110.164 179.083 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.93 -44.34 60.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 2.1 110.147 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -60.03 3.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.156 0.503 . . . . 2.23 110.515 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.769 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.827 -0.624 . . . . 2.46 110.162 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 4.2 m-20 -58.48 -42.25 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 2.49 110.534 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HG2' ' CE2' ' A' ' 91' ' ' PHE . 1.6 tp10 -63.17 -55.55 24.15 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.242 -0.651 . . . . 3.07 109.242 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.21 -47.07 17.93 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.037 -0.529 . . . . 2.5 109.89 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 m -59.81 -47.91 83.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.325 -0.398 . . . . 1.59 110.234 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.64 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 7.2 t90 -55.47 -38.86 69.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.287 -0.415 . . . . 2.24 110.651 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG12 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm -63.68 -54.73 28.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 110.026 -0.361 . . . . 1.92 110.026 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -43.19 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.2 0.524 . . . . 3.58 109.723 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.08 -45.14 86.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.558 -0.746 . . . . 3.45 110.124 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.673 ' HG3' ' NE2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -59.78 -46.44 89.18 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.96 -0.564 . . . . 2.77 109.816 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' NZ ' HD22 ' A' ' 101' ' ' LEU . 1.1 tmtm? -54.83 -46.18 74.55 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 3.62 109.837 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.8 -44.09 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 3.19 109.781 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -46.07 89.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 3.08 110.348 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -42.75 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.156 0.503 . . . . 2.48 110.062 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.56 -27.9 63.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.483 -0.78 . . . . 3.01 110.685 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.592 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 59.3 m -74.43 -40.43 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 3.19 110.915 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -75.39 88.55 2.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 4.37 110.722 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD1' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -105.81 153.77 21.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 4.85 110.847 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 92.2 m-85 29.51 -99.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.943 -0.571 . . . . 9.52 111.565 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.14 -74.55 0.22 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.006 -0.616 . . . . 4.85 112.064 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.44 148.56 44.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.828 0.347 . . . . 7.28 110.728 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.62 31.98 0.74 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.9 -0.591 . . . . 5.96 110.921 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.38 -18.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 5.47 110.058 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.8 t -150.46 27.91 0.73 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.808 -0.633 . . . . 4.22 110.524 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.84 -52.85 2.52 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 116.074 -0.512 . . . . 4.04 113.621 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.9 t -48.18 -60.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.832 0.316 . . . . 4.39 111.812 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -62.57 -28.43 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 4.24 110.625 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -38.17 81.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 3.83 110.147 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.76 -53.55 39.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.719 -0.673 . . . . 4.27 109.5 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -50.36 -43.82 54.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.79 -0.641 . . . . 5.49 110.733 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -63.34 -50.84 68.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 4.3 110.437 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -55.3 -42.7 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.759 -0.46 . . . . 4.17 109.759 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -48.12 -55.22 10.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.325 -0.398 . . . . 3.6 110.133 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -43.78 68.03 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.173 -0.467 . . . . 3.17 110.072 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -33.44 75.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.972 -0.558 . . . . 4.13 110.23 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.901 HD21 ' HB1' ' A' ' 102' ' ' ALA . 16.9 tp -62.5 -52.79 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.749 -0.66 . . . . 2.9 109.849 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.52 -47.06 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 3.17 110.227 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.58 54.72 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.181 -0.463 . . . . 1.35 110.557 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -55.59 -49.07 73.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 2.6 110.052 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -48.59 -45.33 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.443 -0.799 . . . . 2.67 110.955 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -67.27 -42.43 83.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 1.37 111.436 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -26.96 68.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.95 0.352 . . . . 1.43 111.95 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.673 ' NE2' ' HG3' ' A' ' 26' ' ' LYS . 1.7 m80 -71.48 -37.55 71.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.586 -0.279 . . . . 2.61 111.331 -179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -49.58 -62.52 2.42 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 120.9 -0.32 . . . . 3.01 110.457 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 72.7 Cg_exo -49.8 -46.05 29.26 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.67 2.246 . . . . 1.6 112.599 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.58 72.91 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.115 -0.493 . . . . 1.31 111.318 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 59' ' ' HIS . 4.8 mt -80.79 -32.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 1.08 111.473 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.788 ' O ' ' OD2' ' A' ' 68' ' ' ASP . 2.9 mm100 -53.36 -51.87 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 3.27 109.605 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.91 -52.17 22.21 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.518 -0.848 . . . . 1.14 111.375 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.18 -55.9 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 1.46 110.488 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.3 -51.85 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 2.13 111.225 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.788 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 10.7 m-20 -56.61 -46.44 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 2.24 110.934 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 m -62.28 -49.4 75.82 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.81 0.338 . . . . 1.02 110.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.41 -42.75 75.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.72 -0.752 . . . . 0.79 112.0 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -60.52 -42.38 96.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.843 -0.429 . . . . 3.25 109.843 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -48.81 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.794 -0.639 . . . . 3.71 110.932 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 12' ' ' PHE . 4.9 mt -58.48 -41.33 85.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 1.52 110.842 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 m -65.6 -45.89 81.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.059 -0.518 . . . . 1.76 111.73 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -47.68 -43.36 26.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 2.34 111.856 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -88.7 -42.51 11.93 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.913 0.338 . . . . 2.89 111.913 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -75.3 133.3 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.103 0.478 . . . . 4.42 111.859 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -91.27 -74.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.793 -0.64 . . . . 4.87 109.548 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.46 102.61 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.772 -0.649 . . . . 4.56 110.273 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.84 -27.51 3.33 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.97 -0.633 . . . . 2.87 112.004 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -46.17 -46.96 17.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.897 0.379 . . . . 4.4 110.826 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.32 -53.16 59.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 3.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -53.08 -46.72 68.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.35 -0.386 . . . . 2.94 110.186 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.9 mm -55.72 -53.56 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 2.47 110.676 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -41.65 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 3.13 111.035 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -62.42 -47.04 85.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 3.09 110.577 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -61.19 -48.98 79.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.929 0.395 . . . . 4.43 110.211 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 92' ' ' VAL . 57.7 tp -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 1.9 110.097 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.4 -33.44 73.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.97 110.934 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -69.77 -38.82 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 2.72 110.068 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 11.3 t80 -59.43 -49.84 76.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.737 -0.468 . . . . 1.19 109.737 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 88' ' ' LEU . 1.5 t -49.28 -48.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 1.37 110.342 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.21 -56.17 18.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.659 -0.497 . . . . 1.71 109.659 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -50.14 -56.39 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 2.46 110.496 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.461 ' CZ3' HD22 ' A' ' 98' ' ' LEU . 11.1 t-105 -51.82 -46.79 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 2.64 110.368 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -50.29 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 2.86 109.656 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 1.227 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -51.13 -49.73 60.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.835 -0.62 . . . . 3.03 110.253 179.263 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD22 ' CZ3' ' A' ' 95' ' ' TRP . 9.5 tt -55.84 -49.36 73.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 2.38 110.217 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -51.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 4.07 110.414 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -54.39 -54.16 44.29 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.822 0.344 . . . . 3.33 110.567 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.227 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 1.3 mt -52.77 -44.01 66.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.211 -0.45 . . . . 2.59 110.826 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.901 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -56.01 -49.78 72.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 2.24 110.47 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 2.56 110.376 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.47 -51.12 63.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.917 -0.583 . . . . 2.74 110.334 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -46.17 -47.91 17.6 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.012 -0.54 . . . . 4.42 110.253 179.441 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -53.69 -49.68 56.93 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.772 -0.728 . . . . 3.27 111.62 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.913 0.387 . . . . 4.07 110.182 179.142 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.614 0.245 . . . . 4.11 111.311 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -65.43 -47.84 74.81 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.749 0.309 . . . . 3.73 110.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.34 -39.94 67.58 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.24 -0.584 . . . . 1.14 109.718 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.78 -52.94 16.88 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.362 -0.607 . . . . 2.77 109.362 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.86 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 5.3 ttp85 -59.53 -53.0 63.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.761 -0.654 . . . . 4.35 109.413 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 1.221 ' CA ' ' OD2' ' A' ' 18' ' ' ASP . 5.3 m-20 -47.27 -44.26 22.91 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.001 0.429 . . . . 2.1 110.463 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.645 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.43 -59.55 4.43 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.211 -0.45 . . . . 2.23 109.86 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.03 -45.66 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.568 -0.531 . . . . 2.46 109.568 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.221 ' OD2' ' CA ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -46.53 -42.36 15.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.914 -0.584 . . . . 2.49 110.149 179.089 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.698 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -52.79 -68.81 0.14 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.448 0.642 . . . . 3.07 110.728 179.477 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.72 -37.0 49.11 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.22 -0.9 . . . . 2.5 109.573 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.9 -34.65 77.88 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.577 -0.738 . . . . 1.59 109.724 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.631 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 24.1 t-105 -54.71 -59.65 4.42 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.106 -0.702 . . . . 2.24 109.106 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.8 mm -39.11 -55.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.303 -0.408 . . . . 1.92 110.76 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -56.7 -51.22 69.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.04 0.448 . . . . 3.58 110.999 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -40.85 79.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 3.45 111.842 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -46.95 65.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.844 -0.428 . . . . 2.77 109.844 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.092 0.472 . . . . 3.62 109.887 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -63.91 -45.62 88.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 3.19 109.856 179.471 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.06 -48.09 64.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.575 . . . . 3.08 110.255 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.472 HG22 ' NH2' ' A' ' 51' ' ' ARG . 18.7 t -58.0 -48.68 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.849 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 m -63.07 -26.0 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 3.01 111.646 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 m -76.63 -54.02 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 3.19 110.788 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -110.67 94.52 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 4.37 110.664 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.817 ' OD1' ' O ' ' A' ' 34' ' ' ASP . 2.6 p30 -159.22 95.61 1.26 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.302 -0.408 . . . . 4.85 110.989 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 91.6 m-85 51.78 72.78 0.36 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.02 -0.537 . . . . 9.52 111.358 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.24 -61.71 6.83 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.881 -0.676 . . . . 4.85 112.746 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' THR . 31.7 ttp180 -135.28 135.47 40.88 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.399 0.142 . . . . 7.28 110.693 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' C ' ' H ' ' A' ' 40' ' ' THR . 0.4 OUTLIER -39.87 -49.52 2.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.128 -0.487 . . . . 5.96 112.067 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.25 10.27 0.09 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.509 -0.314 . . . . 5.47 111.841 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.476 ' H ' ' C ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -134.28 17.0 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.72 -0.218 . . . . 4.22 111.042 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.02 -61.2 6.35 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.798 -0.715 . . . . 4.04 113.38 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG13 ' H ' ' A' ' 43' ' ' GLN . 2.8 p -57.34 -54.25 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 111.84 0.311 . . . . 4.39 111.84 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' H ' HG13 ' A' ' 42' ' ' VAL . 3.8 mp0 -56.91 -37.31 71.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.991 0.424 . . . . 4.24 110.533 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' ND2' ' H ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -66.11 -42.52 89.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 3.83 110.056 179.381 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.77 -53.06 62.09 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.317 -0.623 . . . . 4.27 109.317 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -40.05 71.57 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.066 -0.716 . . . . 5.49 109.066 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -46.6 82.88 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.428 -0.806 . . . . 4.3 109.694 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -49.93 74.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.742 -0.663 . . . . 4.17 109.976 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -51.61 -50.06 60.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.659 -0.497 . . . . 3.6 109.659 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -40.43 74.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.972 -0.558 . . . . 3.17 109.745 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' NH2' HG22 ' A' ' 30' ' ' VAL . 21.8 ttp180 -66.54 -32.86 74.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 4.13 109.806 179.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.92 -51.84 67.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.889 -0.596 . . . . 2.9 110.282 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.7 mm-40 -53.0 -51.06 62.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 3.17 109.939 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.5 89.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.968 -0.56 . . . . 1.35 110.045 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.795 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.93 -53.64 46.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.624 -0.717 . . . . 2.6 110.273 179.043 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -35.58 74.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 2.67 111.432 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.99 -42.09 99.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 1.37 110.463 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.45 -23.43 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 1.43 111.546 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.637 ' CD2' ' NE1' ' A' ' 95' ' ' TRP . 17.0 m80 -70.63 -42.94 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 2.61 111.35 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 1.105 ' OE1' ' NE2' ' A' ' 64' ' ' GLN . 2.1 tp10 -56.73 -60.39 9.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 3.01 111.564 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 35.8 Cg_exo -59.41 -48.85 12.11 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.709 1.606 . . . . 1.6 112.608 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.41 -55.31 30.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.108 0.48 . . . . 1.31 111.752 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -58.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.867 -0.606 . . . . 1.08 111.558 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 1.105 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 2.8 mp0 -49.16 -46.78 45.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.5 -0.318 . . . . 3.27 110.493 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.4 -54.02 7.7 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.794 -0.717 . . . . 1.14 112.052 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.672 HG12 HD11 ' A' ' 88' ' ' LEU . 63.7 t -58.06 -51.62 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.57 -0.452 . . . . 1.46 110.58 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.87 -51.89 47.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 2.13 111.076 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.689 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 9.6 m-20 -54.12 -50.03 67.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 2.24 110.251 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -57.31 -51.73 68.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.02 110.496 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.89 -42.54 47.05 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.495 -0.86 . . . . 0.79 111.439 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.48 99.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.447 -0.575 . . . . 3.25 109.447 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.884 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 26.9 mmtp -63.97 -33.26 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.613 -0.721 . . . . 3.71 110.681 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mp -61.33 -43.15 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 1.52 109.918 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 -32.36 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.751 -0.659 . . . . 1.76 110.622 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.12 -38.12 81.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.86 -0.609 . . . . 2.34 111.589 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.884 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -94.42 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.427 -0.351 . . . . 2.89 111.357 -179.384 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 173.11 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.946 -0.57 . . . . 4.42 111.099 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -123.03 2.16 9.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 4.87 111.252 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 79' ' ' ILE . 6.7 tp -51.31 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 120.896 0.379 . . . . 4.56 111.319 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 30.34 57.03 0.23 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.54 -0.755 . . . . 2.87 113.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -48.16 29.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.686 0.243 . . . . 4.4 111.451 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.53 -43.68 89.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 3.0 110.723 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 86' ' ' GLN . 1.6 tm-20 -57.06 -50.48 72.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.959 0.409 . . . . 2.94 110.035 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mt -58.19 -45.94 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 2.47 109.84 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -53.88 -50.23 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 3.13 110.99 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.548 ' HG3' ' N ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -59.86 -42.89 94.67 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.683 0.278 . . . . 3.09 110.484 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -59.67 -50.22 74.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 4.43 110.74 179.522 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.672 HD11 HG12 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.32 -40.54 82.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 1.9 110.742 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -30.34 66.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.97 111.39 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -66.75 -46.2 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 2.72 110.389 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 66.4 t80 -53.79 -48.81 69.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.156 0.503 . . . . 1.19 109.895 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 t -56.54 -49.82 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 1.37 110.212 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -53.12 33.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.843 0.354 . . . . 1.71 110.256 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -53.41 -56.84 13.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 2.46 110.045 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 27.1 t90 -51.79 -44.09 63.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.955 -0.566 . . . . 2.64 110.574 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -49.66 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 2.86 110.462 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.76 -53.23 51.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 3.03 110.488 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.8 mt -54.22 -46.26 72.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.982 -0.553 . . . . 2.38 110.352 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -56.56 -49.3 75.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.422 -0.584 . . . . 4.07 109.422 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.54 19.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.497 -0.774 . . . . 3.33 110.134 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.6 tp -51.89 -52.99 45.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 2.59 110.182 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.74 -46.31 50.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.783 -0.644 . . . . 2.24 111.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.73 -50.99 64.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.754 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.28 85.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.236 -0.438 . . . . 2.74 110.426 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -55.59 -44.1 76.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.886 -0.597 . . . . 4.42 110.12 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.32 27.27 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 115.768 -0.651 . . . . 3.27 112.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 . . . . . 0 C--N 1.332 -0.179 0 N-CA-C 110.163 -0.31 . . . . 4.07 110.163 179.512 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.304 . . . . 4.11 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.02 -44.8 79.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 3.73 110.493 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 43.6 t80 -53.25 -49.81 66.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.355 -0.384 . . . . 1.14 110.867 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.947 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 18.3 m-85 -49.44 -47.42 48.19 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.669 -0.413 . . . . 2.77 109.918 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -59.86 -52.99 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 4.35 109.804 178.687 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 1.125 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 5.4 m-20 -50.54 -45.6 57.0 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.285 -0.416 . . . . 2.1 110.618 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.56 -54.9 41.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.34 -0.391 . . . . 2.23 110.024 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.947 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 1.3 m-20 -53.21 -46.12 68.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.698 -0.482 . . . . 2.46 109.698 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.125 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -52.56 -53.32 47.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.551 -0.295 . . . . 2.49 110.497 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 12.4 pt-20 -60.31 -56.2 24.34 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.888 -0.412 . . . . 3.07 109.888 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 4.3 mm-40 -47.12 -40.26 15.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.431 -0.581 . . . . 2.5 109.431 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -38.23 89.55 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 1.59 110.05 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.415 ' HB3' ' O ' ' A' ' 19' ' ' GLU . 66.2 t90 -54.89 -45.98 74.72 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.553 -0.536 . . . . 2.24 109.553 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mm -50.25 -56.92 2.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.598 0.713 . . . . 1.92 109.116 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -41.45 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.031 -0.986 . . . . 3.58 110.991 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -63.15 -43.35 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 3.45 110.823 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -61.59 -50.07 74.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.725 -0.472 . . . . 2.77 109.725 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -54.69 -46.42 74.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.694 -0.484 . . . . 3.62 109.694 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.21 -35.34 78.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 3.19 110.254 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 51' ' ' ARG . 22.1 tp -58.75 -54.2 49.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 3.08 109.812 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 t -57.71 -37.9 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.239 0.543 . . . . 2.48 109.733 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -66.41 -31.44 72.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.183 -0.917 . . . . 3.01 110.477 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 t -81.92 -30.0 32.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.74 -0.664 . . . . 3.19 111.439 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -62.76 -56.51 16.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 4.37 111.669 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 39.23 -87.09 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.486 0.491 . . . . 4.85 111.743 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' GLU . 36.4 p90 -160.96 -14.88 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.547 -0.297 . . . . 9.52 111.013 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.48 -138.28 33.03 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.185 -0.531 . . . . 4.85 113.151 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.91 115.32 4.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.737 0.303 . . . . 7.28 111.32 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.38 -52.82 63.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.207 -0.451 . . . . 5.96 110.025 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.9 -68.19 0.22 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.626 . . . . 5.47 110.941 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 40' ' ' THR . 12.5 t -97.34 55.44 1.27 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.177 0.513 . . . . 4.22 110.637 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.95 88.56 Favored Glycine 0 C--N 1.331 0.255 0 CA-C-N 115.827 -0.624 . . . . 4.04 113.409 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.652 HG13 ' H ' ' A' ' 43' ' ' GLN . 7.0 p -59.35 -60.37 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.848 0.314 . . . . 4.39 111.848 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.652 ' H ' HG13 ' A' ' 42' ' ' VAL . 15.2 tm0? -58.27 -36.52 73.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.096 0.474 . . . . 4.24 110.069 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.15 -50.98 71.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 3.83 110.569 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.92 -49.3 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.031 -0.359 . . . . 4.27 110.031 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -42.4 62.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 5.49 110.608 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -46.68 89.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.351 -0.386 . . . . 4.3 110.221 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -60.79 -45.44 94.36 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.774 -0.454 . . . . 4.17 109.774 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -50.2 -50.17 50.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.759 -0.655 . . . . 3.6 110.71 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.99 -49.4 50.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.925 0.393 . . . . 3.17 110.658 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.553 ' CZ ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.01 -39.6 82.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 4.13 110.084 179.25 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.03 -52.38 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 2.9 110.205 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.678 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.4 mm-40 -49.17 -44.52 42.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 3.17 110.968 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.23 23.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.06 0.457 . . . . 1.35 110.235 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.8 -39.64 65.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.772 -0.649 . . . . 2.6 110.58 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 2.1 tp -62.19 -50.27 72.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 2.67 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -63.13 -27.77 69.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 1.37 111.92 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.8 53.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.737 0.643 . . . . 1.43 112.737 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.643 ' CD2' ' HE1' ' A' ' 95' ' ' TRP . 28.0 p-80 -75.69 -20.7 58.21 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.554 0.576 . . . . 2.61 112.554 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.605 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -60.69 -62.17 6.5 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 108.364 -0.976 . . . . 3.01 108.364 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 53.1 Cg_exo -58.59 -39.97 78.04 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.578 2.185 . . . . 1.6 111.537 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.86 -45.54 94.13 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.737 -0.665 . . . . 1.31 111.365 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 64' ' ' GLN . 1.2 mp -60.48 -54.51 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.08 109.745 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.503 ' N ' HG22 ' A' ' 63' ' ' ILE . 27.2 tt0 -47.8 -52.21 19.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.888 -0.596 . . . . 3.27 110.627 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.13 -49.21 37.64 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.675 -0.774 . . . . 1.14 112.043 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.3 t -55.9 -50.65 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 1.46 110.468 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.71 -51.19 66.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 2.13 110.622 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.19 -51.15 59.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 2.24 110.914 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.479 ' HB ' ' CD1' ' A' ' 12' ' ' PHE . 2.1 m -61.26 -49.4 77.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.896 0.379 . . . . 1.02 110.301 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.4 -39.86 52.84 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.627 -0.797 . . . . 0.79 111.522 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -44.18 51.34 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.054 0.454 . . . . 3.25 110.013 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -53.89 50.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.67 -0.695 . . . . 3.71 109.941 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.28 -42.89 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 1.52 110.401 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -53.26 53.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 1.76 110.666 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -45.12 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.34 111.385 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.67 43.98 1.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.003 0.371 . . . . 2.89 112.003 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -45.33 134.12 6.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.509 0.195 . . . . 4.42 110.632 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.6 105.76 1.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 4.87 111.132 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.641 HG22 ' N ' ' A' ' 80' ' ' GLY . 70.8 mt 34.67 -109.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.028 -0.533 . . . . 4.56 111.786 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.641 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -31.08 -37.2 0.02 OUTLIER Glycine 0 C--N 1.337 0.604 0 N-CA-C 114.092 0.397 . . . . 2.87 114.092 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -46.9 -36.13 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.93 0.345 . . . . 4.4 111.93 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -48.1 82.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.693 -0.231 . . . . 3.0 111.045 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.1 -49.93 72.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.481 . . . . 2.94 109.945 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -55.58 -51.69 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 2.47 110.284 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -45.22 72.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 3.13 110.96 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 3.09 110.229 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.409 ' NH1' ' SD ' ' A' ' 16' ' ' MET . 28.0 ttp85 -59.6 -50.8 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 4.43 110.173 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -45.0 78.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.992 0.425 . . . . 1.9 110.091 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.795 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -58.13 -38.16 76.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.039 -0.528 . . . . 0.97 110.055 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.31 -44.08 92.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 2.72 109.546 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 9.0 t80 -55.53 -49.48 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 1.19 110.617 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 89' ' ' ALA . 8.6 p -56.25 -46.87 81.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 120.741 -0.384 . . . . 1.37 110.629 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.915 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.26 -52.98 49.47 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.454 -0.573 . . . . 1.71 109.454 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.915 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 7.3 m-70 -52.25 -56.73 12.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.787 -0.642 . . . . 2.46 109.965 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.643 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 13.1 t90 -45.86 -43.07 13.24 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.086 -0.506 . . . . 2.64 111.356 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 7.3 mttt -53.96 -53.21 55.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.873 -0.331 . . . . 2.86 110.656 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.08 -51.99 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.034 0.445 . . . . 3.03 110.639 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.5 mt -58.31 -36.5 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 2.38 110.802 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -61.43 -50.48 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.846 -0.428 . . . . 4.07 109.846 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -57.51 -50.26 73.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.042 -0.526 . . . . 3.33 109.847 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.84 -48.59 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 2.59 110.435 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.3 74.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 2.24 110.891 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.33 72.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 2.56 110.397 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.33 84.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.55 . . . . 2.74 110.57 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -57.83 -45.82 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 4.42 110.359 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.97 -29.41 69.11 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.667 -0.778 . . . . 3.27 112.661 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.644 0.259 . . . . 4.07 111.581 -179.364 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.433 ' CE1' ' HG2' ' A' ' 11' ' ' GLN . 12.3 p80 . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.488 0.185 . . . . 4.11 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 1.097 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 15.8 mm100 -66.34 -39.78 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.958 -0.386 . . . . 3.73 109.958 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 34.9 t80 -53.28 -50.63 64.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.201 -0.454 . . . . 1.14 110.037 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.47 -52.21 55.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.429 -0.35 . . . . 2.77 110.319 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -53.34 39.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 4.35 110.019 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 1.097 ' OD1' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -51.79 -53.57 38.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.002 0.43 . . . . 2.1 109.946 178.797 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -52.19 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 2.23 110.632 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -53.93 -51.84 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 2.46 110.467 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.505 -0.316 . . . . 2.49 110.755 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -65.43 -56.62 11.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.332 . . . . 3.07 110.181 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -45.97 -42.68 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.324 -0.398 . . . . 2.5 110.25 178.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -40.98 67.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.714 -0.476 . . . . 1.59 109.714 178.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.603 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 26.1 t90 -56.1 -40.2 73.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.659 -0.7 . . . . 2.24 111.754 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 20' ' ' GLU . 7.3 tp -64.56 -52.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.157 -0.617 . . . . 1.92 110.414 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -56.57 -43.03 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.977 0.418 . . . . 3.58 110.455 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -37.27 73.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.798 -0.637 . . . . 3.45 111.075 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 11.6 tptp -68.21 -41.83 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 2.77 110.16 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HB2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -53.39 -46.44 69.68 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.189 0.518 . . . . 3.62 109.908 178.627 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.19 -39.64 90.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.026 -0.534 . . . . 3.19 110.207 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.63 -45.28 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 3.08 110.412 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.722 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 59.6 t -52.54 -46.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.007 0.432 . . . . 2.48 110.392 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.973 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 1.8 m -56.39 -34.35 66.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 3.01 111.01 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -77.25 -44.18 30.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 3.19 111.033 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -61.93 -36.93 82.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 4.37 110.943 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.973 ' OD1' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -70.58 -159.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 4.85 111.536 -179.459 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -42.23 94.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.832 -0.622 . . . . 9.52 112.17 -179.139 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.53 ' H ' ' ND2' ' A' ' 44' ' ' ASN . . . -117.96 2.16 17.16 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.775 -0.648 . . . . 4.85 112.044 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.76 90.96 1.89 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.576 0.227 . . . . 7.28 110.493 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -35.9 -48.74 0.59 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.178 -0.465 . . . . 5.96 112.211 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tt -38.68 -32.13 0.07 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.704 0.631 . . . . 5.47 112.704 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 40' ' ' THR . 12.4 t -139.29 43.21 2.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.739 0.304 . . . . 4.22 111.041 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -49.69 -46.73 38.73 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.819 -0.705 . . . . 4.04 112.946 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -57.24 -59.96 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 111.962 0.356 . . . . 4.39 111.962 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.409 ' H ' HG23 ' A' ' 42' ' ' VAL . 3.7 tp-100 -55.39 -39.63 70.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 4.24 110.254 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.53 ' ND2' ' H ' ' A' ' 36' ' ' GLY . 17.6 t-20 -58.39 -50.95 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 3.83 109.653 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -54.59 -55.88 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.382 -0.826 . . . . 4.27 110.653 179.383 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.82 -33.45 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.876 -0.602 . . . . 5.49 111.26 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -33.01 68.78 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.468 -0.567 . . . . 4.3 109.468 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.65 91.71 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.236 -0.653 . . . . 4.17 109.236 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -46.83 -58.75 3.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.946 0.403 . . . . 3.6 110.176 179.094 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -56.58 -45.95 81.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.139 -0.482 . . . . 3.17 110.75 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 -63.74 -27.04 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 4.13 110.321 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.52 -54.46 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 2.9 110.757 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG2' ' N ' ' A' ' 54' ' ' ALA . 2.1 pt-20 -53.88 -43.95 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 3.17 110.571 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.481 ' N ' ' HG2' ' A' ' 53' ' ' GLU . . . -62.25 -48.69 78.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.109 0.481 . . . . 1.35 109.871 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.5 mt-10 -54.75 -53.52 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.628 -0.715 . . . . 2.6 110.889 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.603 HD23 ' CH2' ' A' ' 95' ' ' TRP . 23.6 mt -55.53 -40.06 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.4 -0.363 . . . . 2.67 111.563 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -57.85 -43.38 85.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.37 111.663 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.01 -26.41 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.89 0.7 . . . . 1.43 112.89 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.835 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.3 m80 -77.18 -33.92 56.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 2.61 111.551 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -56.77 -60.8 8.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 3.01 110.841 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.4 Cg_exo -55.4 -40.19 86.93 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.394 2.063 . . . . 1.6 112.414 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.43 -49.43 74.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.287 -0.415 . . . . 1.31 111.249 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.0 mt -70.65 -45.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 1.08 110.796 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -46.57 70.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 3.27 110.522 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.58 -49.96 25.96 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.736 -0.745 . . . . 1.14 111.717 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 67' ' ' LEU . 1.2 t -57.86 -50.67 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.395 . . . . 1.46 110.321 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' N ' HG12 ' A' ' 66' ' ' VAL . 20.7 tp -52.83 -53.16 52.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 2.13 110.706 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.6 -47.09 73.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.24 110.842 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -60.48 -48.84 80.02 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.161 -0.311 . . . . 1.02 110.161 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.05 -41.66 53.28 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.675 -0.774 . . . . 0.79 111.275 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 1.106 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -57.97 -47.32 83.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.2 -0.667 . . . . 3.25 109.2 178.739 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HA ' ' OD1' ' A' ' 75' ' ' ASP . 1.7 tmtm? -57.4 -46.29 83.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.721 -0.672 . . . . 3.71 109.764 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 12' ' ' PHE . 3.3 mp -48.67 -54.96 12.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 1.52 109.555 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -54.23 -42.32 69.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 1.76 109.988 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 1.106 ' OD1' ' O ' ' A' ' 71' ' ' LYS . 3.6 m-20 -63.3 -30.55 71.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.584 -0.734 . . . . 2.34 112.242 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.37 -5.01 23.38 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.587 0.958 . . . . 2.89 113.587 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -150.18 14.32 0.79 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.347 -0.541 . . . . 4.42 112.365 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.472 ' OG1' HD13 ' A' ' 79' ' ' ILE . 30.1 p 32.0 -99.41 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 4.87 112.124 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.16 127.48 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.333 -0.394 . . . . 4.56 111.361 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.85 -36.77 2.07 Favored Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.111 -0.796 . . . . 2.87 111.111 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -33.32 6.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.311 -0.444 . . . . 4.4 111.299 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -43.55 -53.59 5.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.664 0.269 . . . . 3.0 111.36 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.51 -50.84 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.106 0.479 . . . . 2.94 109.984 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.57 -45.89 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.859 -0.609 . . . . 2.47 110.823 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.8 -50.08 66.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.423 -0.353 . . . . 3.13 110.811 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -55.46 -47.3 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 3.09 110.459 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -50.82 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 4.43 110.688 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.74 -35.83 69.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 1.9 110.354 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.5 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -61.43 -37.92 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.97 110.455 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -66.97 -40.93 87.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.27 0.557 . . . . 2.72 109.83 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.531 ' CE1' HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -59.99 -53.57 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 1.19 109.986 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -53.88 -44.46 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.774 -0.37 . . . . 1.37 110.216 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.6 OUTLIER -51.95 -58.54 6.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.77 0.319 . . . . 1.71 110.942 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -57.09 -48.48 78.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.912 0.387 . . . . 2.46 111.102 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.603 ' CH2' HD23 ' A' ' 56' ' ' LEU . 12.7 t-105 -62.33 -35.25 78.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 2.64 110.608 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -47.87 82.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 2.86 109.937 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.27 -48.11 81.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.038 0.447 . . . . 3.03 109.856 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 27' ' ' LYS . 1.3 mp -57.27 -46.92 82.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.897 -0.592 . . . . 2.38 110.245 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -55.59 -50.58 69.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 4.07 109.849 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -51.41 -54.85 22.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 3.33 110.108 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -50.12 60.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 2.59 110.262 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.56 74.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.956 -0.566 . . . . 2.24 110.911 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 2.56 110.706 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.25 85.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.18 0.514 . . . . 2.74 109.757 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -49.47 -55.68 12.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.36 -0.837 . . . . 4.42 110.27 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -36.93 93.23 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.889 -0.672 . . . . 3.27 112.247 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.523 0.201 . . . . 4.07 111.321 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.351 -0.611 . . . . 4.11 109.351 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -68.88 -46.0 69.54 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.601 -0.727 . . . . 3.73 109.849 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.513 ' CD2' HD11 ' A' ' 73' ' ' LEU . 72.5 t80 -47.66 -50.33 25.0 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.342 -0.543 . . . . 1.14 109.666 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -50.71 -50.82 54.35 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.556 . . . . 2.77 109.5 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.579 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.9 -56.39 21.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.943 -0.572 . . . . 4.35 109.832 178.565 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 1.275 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 1.1 m-20 -49.95 -43.66 50.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.278 -0.419 . . . . 2.1 110.395 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.579 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -57.98 -54.25 49.02 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.298 0.571 . . . . 2.23 110.192 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' HB2' HH21 ' A' ' 14' ' ' ARG . 11.4 m-20 -55.94 -41.47 74.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.187 -0.672 . . . . 2.46 109.187 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.275 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -57.6 -46.74 83.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.988 -0.551 . . . . 2.49 110.883 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 11.7 pt-20 -64.16 -55.65 20.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.382 -0.599 . . . . 3.07 109.382 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.959 ' OE1' HD12 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -50.42 -39.22 46.75 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.299 -0.63 . . . . 2.5 109.299 178.237 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -65.54 -41.09 93.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.422 -0.808 . . . . 1.59 109.767 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.844 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 49.5 t90 -53.07 -47.07 68.78 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.797 -0.445 . . . . 2.24 109.797 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.959 HD12 ' OE1' ' A' ' 20' ' ' GLU . 48.0 mt -52.68 -59.9 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.396 0.617 . . . . 1.92 109.895 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -44.44 57.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.341 -0.845 . . . . 3.58 111.161 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -47.95 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 3.45 110.693 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.0 89.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 2.77 110.255 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -49.06 62.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.82 -0.437 . . . . 3.62 109.82 179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.62 -32.02 73.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.075 0.464 . . . . 3.19 109.964 179.107 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.39 -47.45 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.968 -0.56 . . . . 3.08 110.11 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -36.97 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.988 0.423 . . . . 2.48 109.921 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 m -55.96 -37.69 69.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.575 -0.739 . . . . 3.01 110.28 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -80.39 -53.61 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 3.19 110.504 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.8 90.42 4.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 4.37 110.381 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -124.83 36.61 4.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.02 -0.537 . . . . 4.85 110.507 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 179.06 -63.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 9.52 110.047 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.2 -143.09 11.4 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.864 -0.684 . . . . 4.85 112.578 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.52 164.19 12.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.309 . . . . 7.28 110.953 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.53 -26.68 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 5.96 109.89 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mp -75.7 -49.0 19.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.464 -0.789 . . . . 5.47 110.564 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.779 HG23 HD22 ' A' ' 44' ' ' ASN . 15.2 t -138.62 64.24 1.5 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.195 -0.457 . . . . 4.22 110.831 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.59 -47.42 90.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.798 -0.715 . . . . 4.04 112.673 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 43' ' ' GLN . 6.1 m -53.9 -53.97 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.911 0.337 . . . . 4.39 111.911 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.448 ' H ' HG23 ' A' ' 42' ' ' VAL . 12.4 tp60 -64.23 -35.29 80.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.732 0.301 . . . . 4.24 110.451 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.779 HD22 HG23 ' A' ' 40' ' ' THR . 1.6 m-80 -61.1 -42.4 98.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 3.83 110.094 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.18 -58.62 7.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.993 -0.548 . . . . 4.27 110.769 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -36.79 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.369 -0.378 . . . . 5.49 110.597 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.64 -42.6 98.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 4.3 110.123 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -62.02 -45.91 91.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.814 -0.63 . . . . 4.17 110.312 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.8 -50.46 73.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 3.6 110.438 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -44.22 81.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 3.17 110.926 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -47.86 83.78 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.05 0.452 . . . . 4.13 110.012 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.72 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.736 -0.666 . . . . 2.9 109.5 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -49.47 -52.91 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.808 -0.633 . . . . 3.17 110.732 179.041 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.13 79.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.079 0.466 . . . . 1.35 110.381 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.81 -52.57 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 2.6 110.73 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.7 -44.01 66.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 2.67 111.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.31 75.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.37 111.445 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.66 -21.42 48.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.036 -0.529 . . . . 1.43 111.644 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.844 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -67.73 -31.18 70.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.011 0.375 . . . . 2.61 112.011 -179.173 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.584 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 1.9 mp0 -60.15 -63.19 4.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.155 -0.618 . . . . 3.01 109.65 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -62.44 -43.78 21.06 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.145 1.897 . . . . 1.6 112.104 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -55.78 27.36 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.611 -0.722 . . . . 1.31 112.375 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.41 -44.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 121.029 -0.268 . . . . 1.08 111.324 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -49.88 14.7 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.716 -0.476 . . . . 3.27 109.716 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.2 -48.73 39.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 1.14 111.401 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.43 -47.14 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.104 0.478 . . . . 1.46 109.952 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 5.2 mp -55.86 -52.89 62.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.758 -0.655 . . . . 2.13 110.454 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -53.34 -49.05 67.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 2.24 110.444 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.3 m -56.03 -54.17 48.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.341 -0.39 . . . . 1.02 110.487 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.48 -42.39 75.44 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 120.431 -0.89 . . . . 0.79 111.777 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -59.23 -37.59 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.846 0.355 . . . . 3.25 110.299 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -57.92 9.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.042 -0.526 . . . . 3.71 110.63 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -53.1 -38.58 62.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 1.52 110.486 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -59.6 -51.77 68.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 1.76 111.065 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.5 -44.41 62.52 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.794 0.33 . . . . 2.34 111.222 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.09 14.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 2.89 111.703 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 43.09 41.44 2.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.82 0.343 . . . . 4.42 111.429 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -73.53 139.89 45.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.384 . . . . 4.87 110.682 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' ILE . 15.5 tt -57.67 116.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 4.56 111.022 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.07 -23.61 8.59 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.07 -0.586 . . . . 2.87 112.064 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -45.86 -40.68 10.26 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 111.618 0.229 . . . . 4.4 111.618 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -57.19 -57.59 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.62 0.248 . . . . 3.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.2 tp10 -53.67 -45.52 70.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 2.94 110.004 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.41 HD13 HD12 ' A' ' 73' ' ' LEU . 86.1 mt -56.06 -52.88 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 2.47 110.682 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -43.88 71.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.391 . . . . 3.13 110.972 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -60.64 -49.27 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.551 -0.295 . . . . 3.09 110.755 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -45.24 92.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 4.43 110.193 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 92' ' ' VAL . 7.4 tt -54.79 -45.76 74.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.847 -0.615 . . . . 1.9 110.523 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.05 77.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 0.97 110.537 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -35.44 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 2.72 109.668 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 23' ' ' ILE . 19.6 t80 -59.52 -52.19 66.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.767 -0.651 . . . . 1.19 110.158 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 88' ' ' LEU . 2.5 t -54.49 -52.05 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.818 -0.438 . . . . 1.37 109.818 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -49.79 -54.08 21.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.006 178.777 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.521 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.2 m-70 -52.61 -56.26 16.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.449 . . . . 2.46 111.192 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.409 ' HD1' HD12 ' A' ' 98' ' ' LEU . 12.2 t90 -58.47 -34.36 70.78 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 120.623 -0.431 . . . . 2.64 111.598 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.624 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -57.38 -44.91 84.86 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.422 -0.511 . . . . 2.86 109.848 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.624 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 5.2 mm-40 -59.23 -47.93 83.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.99 0.424 . . . . 3.03 110.138 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.731 HD11 HG23 ' A' ' 23' ' ' ILE . 20.3 mt -55.98 -46.62 78.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 2.38 110.179 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.467 ' HB2' ' HZ3' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -55.72 -53.62 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.546 . . . . 4.07 109.928 179.558 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -53.98 -50.55 66.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.265 -0.425 . . . . 3.33 109.956 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.14 -47.88 65.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 2.59 110.429 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.48 -49.38 61.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.271 -0.422 . . . . 2.24 110.699 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.06 76.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 2.56 110.283 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.68 83.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.902 -0.59 . . . . 2.74 110.704 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -40.39 82.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 4.42 110.307 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.88 83.08 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.914 -0.66 . . . . 3.27 111.776 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 4.07 110.233 179.379 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 t60 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.478 0.18 . . . . 4.11 111.442 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -56.8 -41.91 78.59 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.237 -0.185 . . . . 3.73 110.854 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 19.9 t80 -56.25 -44.24 79.49 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.705 -0.85 . . . . 1.14 108.705 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -50.97 38.13 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.911 -0.774 . . . . 2.77 108.911 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -56.2 -53.72 53.76 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.658 -0.701 . . . . 4.35 109.588 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 1.063 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 3.8 m-20 -48.97 -49.64 39.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.787 0.327 . . . . 2.1 110.291 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.992 ' HA ' ' OE2' ' A' ' 19' ' ' GLU . 1.9 mmm -53.79 -52.66 59.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.118 0.485 . . . . 2.23 109.952 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.05 -44.75 71.34 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.722 -0.672 . . . . 2.46 109.688 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -43.09 62.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 2.49 110.738 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 1.27 ' OE1' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -66.99 -59.04 3.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.568 -0.53 . . . . 3.07 109.568 178.812 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.55 -37.88 8.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.992 -0.744 . . . . 2.5 108.992 178.364 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -67.63 -45.68 74.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.374 -0.83 . . . . 1.59 109.509 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.641 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 63.7 t90 -49.82 -43.74 48.92 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.298 -0.41 . . . . 2.24 110.041 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -50.39 -59.71 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 1.92 109.85 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -43.65 70.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 3.58 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -45.38 86.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.439 . . . . 3.45 111.042 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -63.11 -50.6 69.85 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.632 -0.507 . . . . 2.77 109.632 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -50.29 -43.3 53.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.266 0.555 . . . . 3.62 109.666 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -38.96 92.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.676 -0.693 . . . . 3.19 110.3 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -43.86 95.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 3.08 110.028 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG22 ' HE2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -56.5 -39.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.742 -0.663 . . . . 2.48 110.526 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 3.01 110.466 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 2.6 m -73.03 -43.54 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 3.19 110.595 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.916 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 3.8 mm-40 136.52 -6.71 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 O-C-N 124.571 1.169 . . . . 4.37 110.571 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 1.177 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 61.27 116.62 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.127 -0.488 . . . . 4.85 112.026 179.253 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 58.13 63.95 1.63 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.859 -0.61 . . . . 9.52 111.919 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.0 176.78 0.59 Allowed Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.166 -0.54 . . . . 4.85 113.752 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.542 HH11 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -161.1 120.18 2.55 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.748 0.308 . . . . 7.28 110.611 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.766 ' OD1' HG22 ' A' ' 40' ' ' THR . 1.0 OUTLIER -79.23 -31.8 43.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.458 -0.571 . . . . 5.96 109.458 178.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.59 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 34.2 tp 122.39 58.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.391 1.057 . . . . 5.47 110.82 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.766 HG22 ' OD1' ' A' ' 38' ' ' ASP . 5.1 t -150.32 74.22 1.18 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.72 -0.673 . . . . 4.22 110.296 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.47 -55.57 2.56 Favored Glycine 0 CA--C 1.52 0.385 0 CA-C-N 116.059 -0.519 . . . . 4.04 114.128 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -61.05 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 112.78 0.659 . . . . 4.39 112.78 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -67.28 -23.42 65.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.104 0.478 . . . . 4.24 110.358 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.765 -0.652 . . . . 3.83 109.801 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.7 -56.76 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 4.27 109.528 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -40.27 71.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.007 -0.542 . . . . 5.49 109.724 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.97 96.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.663 -0.699 . . . . 4.3 110.187 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 1.177 ' HE3' ' OD1' ' A' ' 34' ' ' ASP . 10.6 mttt -58.36 -50.58 73.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.591 -0.522 . . . . 4.17 109.591 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.41 -53.97 31.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 3.6 110.502 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 1.241 ' CA ' ' OE1' ' A' ' 53' ' ' GLU . 2.1 mptp? -52.71 -48.04 66.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.959 0.409 . . . . 3.17 110.345 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -58.6 -38.11 77.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 4.13 110.201 179.355 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -53.4 58.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.621 -0.718 . . . . 2.9 110.154 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 1.241 ' OE1' ' CA ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -51.11 -48.9 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 3.17 110.407 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.25 63.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.431 . . . . 1.35 110.65 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.45 -49.2 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 2.6 110.142 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.06 -39.74 56.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 2.67 111.674 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.88 -48.73 75.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 1.37 111.49 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.66 -24.76 53.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 1.43 111.481 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.641 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -73.86 -26.88 60.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.296 -0.411 . . . . 2.61 111.59 -179.179 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.583 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -58.16 -62.39 5.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 119.022 -1.071 . . . . 3.01 108.603 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.583 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 47.2 Cg_exo -57.94 -48.58 15.81 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.335 2.023 . . . . 1.6 112.342 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.83 -56.37 21.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.082 -0.508 . . . . 1.31 112.298 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CG1' ' O ' ' A' ' 59' ' ' HIS . 1.4 mm -55.14 -50.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 1.08 110.403 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.71 -49.77 64.71 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.411 -0.359 . . . . 3.27 110.318 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.96 -46.37 14.53 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.851 -0.69 . . . . 1.14 111.984 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.27 HG11 ' OE1' ' A' ' 19' ' ' GLU . 5.8 t -57.24 -57.77 8.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.006 0.431 . . . . 1.46 110.126 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 67' ' ' LEU . 9.4 tt -48.64 -51.47 28.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.95 -0.568 . . . . 2.13 110.147 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -53.18 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 2.24 110.647 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -56.65 -47.3 80.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.852 0.358 . . . . 1.02 110.436 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.48 -42.73 84.56 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.482 -0.866 . . . . 0.79 111.666 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -58.52 -39.9 81.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.832 0.348 . . . . 3.25 110.513 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.32 -54.69 15.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.12 -0.491 . . . . 3.71 110.688 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.21 -48.29 71.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 1.52 110.55 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -45.04 65.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.766 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -40.12 94.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 2.34 110.84 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 5.4 m-20 -61.91 -46.98 86.97 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.605 -0.517 . . . . 2.89 109.605 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -167.56 136.95 2.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.387 -0.824 . . . . 4.42 109.618 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.898 HG22 ' OE2' ' A' ' 82' ' ' GLU . 4.0 m -89.21 -39.64 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 4.87 111.107 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mm -56.82 99.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.048 -0.524 . . . . 4.56 110.946 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.99 -36.59 3.39 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 115.959 -0.564 . . . . 2.87 112.279 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -25.94 58.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.396 0.147 . . . . 4.4 111.396 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.898 ' OE2' HG22 ' A' ' 78' ' ' THR . 65.8 mm-40 -40.51 -47.24 2.63 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.706 -0.224 . . . . 3.0 111.284 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.1 -59.98 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 2.94 110.665 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.7 mt -55.43 -44.72 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 2.47 110.254 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -42.56 70.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 3.13 110.587 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -49.71 76.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.863 0.363 . . . . 3.09 110.206 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -61.52 -47.34 86.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 4.43 110.127 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 92' ' ' VAL . 64.8 tp -55.63 -43.1 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 1.9 110.185 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.01 78.29 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.176 -0.466 . . . . 0.97 110.058 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.65 -43.3 94.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 2.72 109.9 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -56.16 -49.1 74.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.07 -0.514 . . . . 1.19 109.816 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 88' ' ' LEU . 2.4 t -51.84 -52.94 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.456 -0.338 . . . . 1.37 110.691 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.792 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.11 -52.31 44.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 1.71 110.411 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.792 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 11.0 m-70 -55.39 -52.92 61.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.072 0.463 . . . . 2.46 109.962 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 59' ' ' HIS . 56.8 t-105 -51.27 -44.9 61.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.696 -0.684 . . . . 2.64 110.042 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -54.21 -55.43 28.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.419 -0.809 . . . . 2.86 110.189 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -43.84 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 3.03 110.148 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -52.99 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 2.38 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -57.87 -43.65 86.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 4.07 109.99 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -53.41 58.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 3.33 110.261 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.51 -49.16 65.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 2.59 110.095 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.56 58.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.926 -0.579 . . . . 2.24 110.733 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.16 -48.55 70.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 2.56 110.747 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.02 81.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.993 -0.549 . . . . 2.74 110.576 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.63 98.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 4.42 110.553 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.0 97.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.782 -0.723 . . . . 3.27 111.787 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.957 0.408 . . . . 4.07 110.272 179.613 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.879 0.371 . . . . 4.11 110.437 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -66.04 -29.97 70.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 3.73 110.22 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.514 ' HE2' HD12 ' A' ' 84' ' ' ILE . 80.4 t80 -58.03 -50.49 73.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.397 -0.594 . . . . 1.14 109.397 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -50.43 56.56 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.77 -0.455 . . . . 2.77 109.77 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -54.72 -53.98 47.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 4.35 110.037 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -50.98 -50.04 59.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 2.1 110.223 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -54.24 36.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.304 -0.407 . . . . 2.23 110.61 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.74 -48.11 72.99 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.243 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -46.32 61.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 2.49 110.584 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.666 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 5.2 mm-40 -65.25 -58.46 5.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 3.07 109.786 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -40.32 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 2.5 109.729 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 t -67.08 -47.03 72.47 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.345 -0.613 . . . . 1.59 109.345 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 47.4 t90 -49.4 -45.45 46.13 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.064 -0.516 . . . . 2.24 109.805 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.4 mm -45.96 -59.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.035 0.445 . . . . 1.92 110.343 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -55.8 -46.49 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 3.58 110.675 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -35.88 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 3.45 110.962 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -55.03 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 2.77 110.557 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.16 -37.26 61.71 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.883 0.373 . . . . 3.62 110.432 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 tt -70.9 -35.73 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 3.19 110.223 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.07 -45.36 95.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.964 -0.562 . . . . 3.08 110.644 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.12 -47.78 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 2.48 110.446 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m -53.49 -33.25 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 3.01 111.092 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 m -80.8 -52.6 7.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 3.19 111.401 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.03 56.26 0.8 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.988 -0.551 . . . . 4.37 111.376 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -51.57 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 4.85 110.787 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -174.68 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.079 -0.51 . . . . 9.52 110.635 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.14 -123.22 8.38 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.105 -0.569 . . . . 4.85 113.283 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HE ' ' CG ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -90.87 118.94 30.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.432 0.158 . . . . 7.28 110.858 -179.559 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' CG ' ' HE ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -36.48 -51.7 0.83 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.331 -0.395 . . . . 5.96 111.598 179.727 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 39' ' ' LEU . 3.5 tm? -40.48 -50.2 2.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.171 -0.468 . . . . 5.47 111.612 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.7 m -87.35 -26.37 23.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.484 -0.326 . . . . 4.22 110.589 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.54 -43.23 1.53 Allowed Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.889 -0.596 . . . . 4.04 112.942 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.604 HG13 ' H ' ' A' ' 43' ' ' GLN . 2.8 p -50.61 -59.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.832 0.316 . . . . 4.39 111.224 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.604 ' H ' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.18 -28.96 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.183 0.516 . . . . 4.24 110.033 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.9 -36.67 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 3.83 110.224 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.57 -57.32 11.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 4.27 110.006 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -48.55 -42.45 33.48 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.123 -0.49 . . . . 5.49 110.569 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -43.29 85.07 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.076 -0.511 . . . . 4.3 110.45 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.36 -41.81 94.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 4.17 110.22 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -55.63 32.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 3.6 110.375 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -53.29 -42.45 66.62 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.15 -0.477 . . . . 3.17 110.509 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -38.44 91.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 4.13 109.972 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -53.66 55.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 2.9 110.731 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.45 -49.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.389 -0.368 . . . . 3.17 110.771 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.84 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.151 0.5 . . . . 1.35 110.143 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE2' ' CE1' ' A' ' 59' ' ' HIS . 23.2 tp10 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.467 -0.788 . . . . 2.6 110.512 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.7 tt -56.23 -39.28 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 2.67 111.916 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.81 -52.75 62.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.114 -0.493 . . . . 1.37 112.251 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.72 -23.88 42.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.43 112.065 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.713 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 6.7 m80 -72.88 -25.51 61.11 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 2.61 112.503 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.57 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -65.52 -61.4 5.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.253 -0.647 . . . . 3.01 109.253 179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 31.8 Cg_exo -58.54 -40.87 70.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.116 1.877 . . . . 1.6 112.158 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.39 -61.23 2.73 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.519 0.563 . . . . 1.31 112.519 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.602 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 1.6 mp -68.97 -40.18 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.675 -0.239 . . . . 1.08 111.315 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -56.65 -52.24 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.641 0.258 . . . . 3.27 110.664 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.2 -45.36 10.32 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.766 -0.731 . . . . 1.14 111.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.95 -58.59 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.899 0.381 . . . . 1.46 110.173 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tt -46.72 -48.67 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 2.13 110.659 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -55.24 30.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 2.24 110.959 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.408 ' HB ' ' CE1' ' A' ' 12' ' ' PHE . 5.5 m -58.03 -44.01 87.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.936 0.398 . . . . 1.02 110.119 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.724 -0.75 . . . . 0.79 111.448 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -60.44 -37.02 79.62 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.851 -0.426 . . . . 3.25 109.851 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -50.81 70.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.846 -0.616 . . . . 3.71 110.085 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.01 -49.66 11.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.154 0.502 . . . . 1.52 110.474 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -50.52 -48.99 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.771 -0.649 . . . . 1.76 111.785 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -57.16 -43.77 82.87 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.157 0.428 . . . . 2.34 112.157 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -83.65 -16.04 46.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.703 0.261 . . . . 2.89 111.703 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 66.54 109.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 4.42 110.498 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.459 ' H ' ' HD3' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -146.93 143.28 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 4.87 110.651 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 pt -65.99 113.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.364 -0.38 . . . . 4.56 110.688 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.25 -28.12 4.62 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.551 -0.62 . . . . 2.87 111.551 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' ' 78' ' ' THR . 11.9 pttm -47.33 -45.91 24.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 4.4 111.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -54.09 -58.11 8.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 3.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.39 -39.99 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.039 0.447 . . . . 2.94 110.092 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.514 HD12 ' HE2' ' A' ' 12' ' ' PHE . 12.3 mm -55.26 -50.92 60.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 2.47 110.061 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -48.35 67.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 3.13 110.641 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -57.18 -51.08 70.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 3.09 110.377 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -58.26 -47.36 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 4.43 110.661 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 92' ' ' VAL . 35.6 tp -57.19 -41.68 79.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 1.9 110.704 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.48 75.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.97 110.262 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.03 -39.74 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.646 . . . . 2.72 109.377 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.666 ' CZ ' ' HB3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -54.86 -54.34 43.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.34 -0.845 . . . . 1.19 110.116 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 88' ' ' LEU . 4.6 t -55.4 -53.26 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 1.37 111.371 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.87 -44.49 86.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.703 0.287 . . . . 1.71 111.233 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.44 -48.91 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.555 -0.293 . . . . 2.46 110.878 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.476 ' CD1' ' HH2' ' A' ' 22' ' ' TRP . 20.4 t90 -67.94 -34.03 75.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.44 -0.346 . . . . 2.64 110.153 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -50.42 74.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 2.86 110.262 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.71 -49.47 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 3.03 110.361 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.21 -42.07 85.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.797 -0.638 . . . . 2.38 111.049 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -61.23 -48.67 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.131 -0.322 . . . . 4.07 110.131 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -56.17 -52.01 65.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.391 . . . . 3.33 110.386 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.23 -46.84 82.61 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.256 -0.429 . . . . 2.59 110.575 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.39 78.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 2.24 110.954 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 2.56 110.873 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.89 91.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.275 -0.421 . . . . 2.74 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -42.51 98.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 4.42 110.656 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.36 -35.24 91.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.082 -0.58 . . . . 3.27 112.241 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.689 0.28 . . . . 4.07 110.747 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m80 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.098 0.475 . . . . 4.11 109.865 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -60.19 -42.81 95.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.717 -0.674 . . . . 3.73 110.068 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 73' ' ' LEU . 44.2 t80 -48.9 -51.17 31.47 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.425 -0.352 . . . . 1.14 110.978 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -48.59 -50.41 32.59 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.531 -0.468 . . . . 2.77 109.908 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -60.71 -48.91 79.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.889 -0.596 . . . . 4.35 110.087 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.51 -42.84 64.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.363 . . . . 2.1 110.398 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 4.7 tpt -59.58 -58.42 8.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 2.23 110.125 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.13 -44.59 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.741 -0.466 . . . . 2.46 109.741 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 3.7 m-20 -54.52 -50.06 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 2.49 110.683 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 13.2 pt-20 -62.33 -54.43 40.67 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.832 -0.433 . . . . 3.07 109.832 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.606 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -48.3 -40.52 25.28 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.486 -0.561 . . . . 2.5 109.486 178.366 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.24 90.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.962 -0.563 . . . . 1.59 109.861 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.643 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 22.1 t90 -48.77 -45.04 39.35 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 110.325 -0.25 . . . . 2.24 110.325 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 94' ' ' HIS . 71.3 mt -52.33 -60.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.03 0.443 . . . . 1.92 110.315 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -53.9 -37.92 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 3.58 110.826 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -51.1 70.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.123 -0.49 . . . . 3.45 110.547 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HG2' HD21 ' A' ' 98' ' ' LEU . 28.8 tptt -59.52 -48.72 80.58 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.573 -0.528 . . . . 2.77 109.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG3' HD12 ' A' ' 98' ' ' LEU . 32.0 mttt -49.48 -47.61 48.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.19 -0.459 . . . . 3.62 110.186 178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -37.52 84.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.008 -0.542 . . . . 3.19 110.154 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.89 82.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 3.08 110.553 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.576 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 19.1 t -54.05 -48.94 63.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 2.48 110.687 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' OD1' ' A' ' 34' ' ' ASP . 2.3 p -51.12 -34.47 30.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.121 -0.491 . . . . 3.01 110.628 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -40.61 25.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 3.19 111.001 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 1.144 ' OE2' ' NH1' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -56.57 -40.74 75.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 4.37 110.465 179.732 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.576 ' OD1' ' O ' ' A' ' 30' ' ' VAL . 8.3 p-10 -74.22 73.52 1.78 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.898 -0.592 . . . . 4.85 110.3 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' HD1' ' C ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -73.17 -147.88 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.089 -0.505 . . . . 9.52 111.664 -178.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.61 58.79 0.66 Allowed Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.127 -0.559 . . . . 4.85 112.152 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? 62.28 124.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.228 0.537 . . . . 7.28 111.56 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 43.9 p-10 -103.25 -16.97 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.689 -0.687 . . . . 5.96 110.025 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER 103.96 21.14 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.05 0.844 . . . . 5.47 111.102 179.566 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 40' ' ' THR . 4.4 t -169.32 43.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 4.22 109.877 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.46 -55.27 1.65 Allowed Glycine 0 C--O 1.225 -0.428 0 CA-C-N 115.662 -0.699 . . . . 4.04 113.739 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.5 t -44.29 -60.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.108 0.454 . . . . 4.39 112.169 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -62.39 -37.63 86.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.036 0.446 . . . . 4.24 110.811 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.61 68.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 3.83 110.365 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -56.64 10.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.69 -0.485 . . . . 4.27 109.69 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -53.03 -38.74 62.64 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.14 -0.482 . . . . 5.49 110.033 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -55.51 32.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 4.3 109.927 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -54.5 -45.72 73.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 4.17 109.929 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -52.63 -49.89 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 3.6 110.515 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -44.97 51.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.349 -0.387 . . . . 3.17 110.397 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 1.144 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 17.7 ttp180 -67.19 -36.67 82.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 4.13 110.178 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.86 -45.92 90.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.851 -0.613 . . . . 2.9 110.187 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.823 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -50.49 -54.69 20.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.898 -0.408 . . . . 3.17 109.898 179.01 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.65 63.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.991 -0.55 . . . . 1.35 109.974 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 6.0 mt-10 -49.71 -54.58 17.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 2.6 110.367 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.52 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 51.9 mt -55.24 -34.57 64.1 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.962 -0.563 . . . . 2.67 111.737 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -68.79 -31.59 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 1.37 111.78 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.65 -19.66 60.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.326 0.491 . . . . 1.43 112.326 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.643 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 43.6 m80 -63.79 -41.99 97.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.371 . . . . 2.61 110.886 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 8.4 tp10 -58.64 -61.64 7.27 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 3.01 110.705 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 19.7 Cg_endo -60.06 -46.61 18.3 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.608 2.206 . . . . 1.6 113.551 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.26 69.63 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.301 0.852 . . . . 1.31 113.301 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 59' ' ' HIS . 86.7 mt -80.24 -41.8 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.03 -0.268 . . . . 1.08 111.692 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -52.78 -50.67 63.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 121.25 -0.18 . . . . 3.27 110.756 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.45 -48.92 8.59 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 120.506 -0.854 . . . . 1.14 111.868 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.418 HG21 ' OE1' ' A' ' 19' ' ' GLU . 17.2 t -59.69 -55.13 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 1.46 110.754 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.55 -49.18 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 2.13 110.929 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.13 -51.15 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 2.24 110.907 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.5 m -60.69 -47.02 88.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.954 -0.298 . . . . 1.02 110.415 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.31 -40.86 92.57 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.624 -0.798 . . . . 0.79 112.299 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -58.55 -43.17 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.762 -0.459 . . . . 3.25 109.762 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -47.66 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.725 -0.671 . . . . 3.71 109.577 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.438 HD12 ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -49.31 -45.75 45.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.668 -0.696 . . . . 1.52 110.292 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -54.19 -57.2 12.05 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.062 -0.517 . . . . 1.76 111.067 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.94 -32.7 66.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 2.34 110.978 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.67 -25.75 38.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 2.89 111.238 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -121.94 84.02 2.19 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.364 -0.38 . . . . 4.42 110.869 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -54.16 38.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 4.87 110.506 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 tp -95.61 104.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 4.56 110.578 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.34 -31.5 2.51 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.95 -0.643 . . . . 2.87 112.17 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -47.34 -39.27 14.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.509 0.195 . . . . 4.4 111.423 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -51.81 -51.63 55.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 3.0 111.113 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -52.42 -53.25 47.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.906 0.384 . . . . 2.94 110.351 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.2 mt -54.66 -47.95 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 2.47 110.85 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -54.17 -44.18 71.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 3.13 110.292 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 6.0 tp60 -60.08 -48.97 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.015 -0.365 . . . . 3.09 110.015 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -57.59 -50.03 74.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 4.43 110.486 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.7 tt -58.14 -40.72 82.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.9 110.158 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.63 -34.37 64.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.951 -0.568 . . . . 0.97 110.71 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -67.05 -45.2 78.12 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.778 -0.452 . . . . 2.72 109.778 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 23' ' ' ILE . 34.5 t80 -52.94 -49.42 66.07 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.151 -0.477 . . . . 1.19 109.795 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 88' ' ' LEU . 1.3 t -56.08 -50.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.997 -0.547 . . . . 1.37 110.32 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 8.1 t70 -52.23 -47.86 65.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 1.71 109.896 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.615 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.3 t-160 -52.19 -58.56 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 2.46 109.961 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -55.08 -41.93 72.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.353 -0.385 . . . . 2.64 110.39 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -50.99 -48.11 61.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.279 -0.419 . . . . 2.86 109.972 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -39.87 91.38 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.643 -0.503 . . . . 3.03 109.643 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.497 HD21 ' HG2' ' A' ' 26' ' ' LYS . 6.1 tt -56.5 -42.53 78.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.588 . . . . 2.38 110.19 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -55.39 -55.54 30.46 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.257 -0.645 . . . . 4.07 109.257 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.55 -52.56 29.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 3.33 109.854 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.88 -50.08 47.21 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 116.124 -0.489 . . . . 2.59 110.292 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.91 73.82 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.048 -0.524 . . . . 2.24 110.46 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.42 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.971 -0.559 . . . . 2.56 110.029 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.36 69.85 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.885 -0.598 . . . . 2.74 110.157 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.66 71.22 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.245 -0.65 . . . . 4.42 109.245 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.61 -37.57 61.38 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.984 -0.626 . . . . 3.27 111.95 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.038 0.447 . . . . 4.07 109.893 179.324 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.925 0.393 . . . . 4.11 110.683 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -67.64 -40.62 84.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 3.73 109.558 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CE2' HD22 ' A' ' 73' ' ' LEU . 35.8 t80 -47.48 -46.9 27.52 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.026 -0.534 . . . . 1.14 109.984 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CE2' HG13 ' A' ' 84' ' ' ILE . 14.9 m-85 -50.94 -51.82 48.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.611 -0.436 . . . . 2.77 110.161 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -61.8 -51.2 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 4.35 111.258 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 16' ' ' MET . 6.2 p30 -59.81 -35.12 74.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.202 -0.599 . . . . 2.1 111.4 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.443 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.5 ttp -65.29 -53.24 47.02 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.866 0.365 . . . . 2.23 110.317 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.3 -48.92 70.75 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.0 -0.546 . . . . 2.46 110.339 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.09 -49.52 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 2.49 110.438 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 1.099 ' OE2' HD13 ' A' ' 63' ' ' ILE . 2.9 tm-20 -61.76 -59.22 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.965 0.412 . . . . 3.07 110.216 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 1.496 ' OE1' ' CD2' ' A' ' 91' ' ' PHE . 1.2 tp10 -50.37 -35.15 26.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.392 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.12 -43.51 91.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.634 -0.506 . . . . 1.59 109.634 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.406 ' CZ2' ' HD2' ' A' ' 26' ' ' LYS . 59.2 t90 -62.37 -43.82 97.92 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.036 -0.529 . . . . 2.24 110.16 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.524 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -59.57 -50.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.146 -0.479 . . . . 1.92 110.404 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 36.9 mtmm -57.95 -47.95 81.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.78 0.324 . . . . 3.58 111.142 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.08 -43.78 95.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.352 -0.385 . . . . 3.45 110.959 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -67.99 -46.25 71.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.013 -0.54 . . . . 2.77 110.733 -179.543 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -54.99 -40.12 69.74 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.63 -0.507 . . . . 3.62 109.63 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.41 -43.9 92.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.916 -0.584 . . . . 3.19 110.026 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -44.62 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 3.08 110.276 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.32 -43.95 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 2.48 110.629 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -54.21 -36.85 63.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.379 -0.373 . . . . 3.01 110.485 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -73.61 -47.19 42.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 3.19 110.155 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.701 ' OE1' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER 59.94 44.5 13.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.578 -0.737 . . . . 4.37 111.16 179.54 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -47.87 131.38 15.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.945 -0.571 . . . . 4.85 110.862 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -103.99 -58.55 1.86 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.23 -0.441 . . . . 9.52 111.361 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.56 128.39 0.13 Allowed Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.865 -0.683 . . . . 4.85 111.723 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -74.89 125.77 29.55 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.238 0.542 . . . . 7.28 111.838 -179.341 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -146.95 18.23 1.25 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.222 -1.029 . . . . 5.96 108.222 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER 59.91 29.57 19.13 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 114.516 -1.22 . . . . 5.47 111.336 -179.654 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 40' ' ' THR . 11.4 t -174.98 57.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.701 -0.681 . . . . 4.22 109.993 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.64 -42.6 1.03 Allowed Glycine 0 C--N 1.332 0.345 0 CA-C-N 115.933 -0.576 . . . . 4.04 113.472 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -57.33 -60.15 2.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.943 0.372 . . . . 4.39 111.135 179.607 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -33.83 69.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.931 0.396 . . . . 4.24 110.408 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -47.93 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.575 . . . . 3.83 110.449 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD21 ' OE1' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -61.61 -47.41 85.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.067 -0.515 . . . . 4.27 110.054 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -52.69 -43.48 65.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 5.49 110.331 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -53.24 -51.69 61.38 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.995 0.426 . . . . 4.3 110.149 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.03 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.773 -0.649 . . . . 4.17 110.398 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -56.02 -38.15 70.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.902 -0.59 . . . . 3.6 110.697 179.631 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -51.59 -46.17 63.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.318 -0.401 . . . . 3.17 110.72 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -62.74 -42.9 99.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 4.13 109.669 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -52.12 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.602 -0.726 . . . . 2.9 110.293 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -51.07 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.032 -0.531 . . . . 3.17 110.602 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.11 67.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.996 0.427 . . . . 1.35 110.34 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -52.18 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 2.6 110.045 178.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.426 ' HG ' ' CH2' ' A' ' 95' ' ' TRP . 2.4 tp -49.2 -37.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.547 -0.751 . . . . 2.67 111.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 1.37 111.464 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.0 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.43 111.912 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.558 ' O ' HG12 ' A' ' 63' ' ' ILE . 6.6 m-70 -63.67 -45.17 91.35 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.74 -0.384 . . . . 2.61 111.124 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.536 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -38.68 -64.35 0.49 Allowed Pre-proline 0 N--CA 1.466 0.356 0 C-N-CA 121.009 -0.277 . . . . 3.01 110.595 -178.45 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 73.0 Cg_exo -44.96 -44.94 14.51 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.458 2.106 . . . . 1.6 112.566 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.57 45.2 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.552 0.575 . . . . 1.31 112.552 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.099 HD13 ' OE2' ' A' ' 19' ' ' GLU . 1.4 mm -76.05 -49.86 24.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.591 0.234 . . . . 1.08 110.554 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -58.74 -52.36 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.528 -0.545 . . . . 3.27 109.528 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.44 -50.03 30.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.598 -0.81 . . . . 1.14 111.721 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -54.71 -54.94 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.46 110.229 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tt -49.17 -53.36 21.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 2.13 110.64 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.838 ' OD1' ' N ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -52.6 -50.45 63.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.362 -0.381 . . . . 2.24 110.811 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.838 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.9 m -58.89 -47.66 84.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.806 0.336 . . . . 1.02 110.683 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.92 -40.0 64.05 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.718 -0.753 . . . . 0.79 111.964 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -40.11 69.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.977 0.418 . . . . 3.25 109.932 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -65.75 -48.93 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 3.71 109.778 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 ' CE2' ' A' ' 12' ' ' PHE . 7.3 mp -48.05 -42.65 28.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 1.52 110.305 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 m -50.61 -56.04 13.59 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.081 -0.509 . . . . 1.76 110.471 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.519 . . . . 2.34 110.832 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.79 -30.54 68.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.983 -0.553 . . . . 2.89 110.933 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 10.5 t-20 56.81 -125.15 1.87 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.13 -0.486 . . . . 4.42 111.367 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.416 ' CB ' ' HZ1' ' A' ' 81' ' ' LYS . 3.9 m 66.76 61.6 0.53 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.013 0.435 . . . . 4.87 111.478 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 80' ' ' GLY . 4.0 mp 38.53 -108.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 115.66 -0.7 . . . . 4.56 112.419 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.514 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -14.95 -57.8 0.01 OUTLIER Glycine 0 CA--C 1.527 0.834 0 N-CA-C 115.959 1.144 . . . . 2.87 115.959 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 13.0 mttp -47.22 -33.93 5.9 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.027 0.751 . . . . 4.4 113.027 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -54.16 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 3.0 110.528 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.08 -47.69 65.06 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.705 -0.479 . . . . 2.94 109.705 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.437 HG13 ' CE2' ' A' ' 13' ' ' PHE . 3.4 mm -55.86 -49.32 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 2.47 110.015 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -50.65 -51.54 48.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 3.13 110.55 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.378 -0.374 . . . . 3.09 110.464 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -59.18 -47.5 85.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 4.43 110.529 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.2 -42.72 77.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 1.9 110.348 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.12 76.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 0.97 110.565 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -71.62 -38.36 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.448 -0.575 . . . . 2.72 109.448 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 1.496 ' CD2' ' OE1' ' A' ' 20' ' ' GLU . 14.4 t80 -56.11 -49.51 73.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.332 -0.618 . . . . 1.19 109.332 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t -51.93 -52.61 21.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.221 -0.445 . . . . 1.37 110.265 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 1.1 t70 -50.04 -54.78 18.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.143 0.497 . . . . 1.71 109.949 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.79 -53.78 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.25 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.426 ' CH2' ' HG ' ' A' ' 56' ' ' LEU . 66.3 t-105 -51.56 -45.64 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 2.64 110.312 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.63 -52.46 55.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.724 . . . . 2.86 111.179 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -45.54 86.75 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.792 0.33 . . . . 3.03 110.74 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -47.13 87.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 2.38 110.684 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -46.66 81.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 4.07 110.036 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.7 tm0? -54.45 -55.37 29.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 3.33 109.892 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.24 -48.18 54.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.506 . . . . 2.59 110.594 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.85 74.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 2.24 110.635 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.22 66.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 2.56 110.668 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.0 94.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.492 . . . . 2.74 110.472 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.62 ' NH2' HD12 ' A' ' 45' ' ' LEU . 16.1 mmt180 -60.64 -33.52 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 4.42 110.988 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.69 -30.49 63.92 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.78 -0.724 . . . . 3.27 112.0 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.763 0.316 . . . . 4.07 110.815 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.822 0.344 . . . . 4.11 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.721 ' H ' ' NE2' ' A' ' 11' ' ' GLN . 2.4 mp0 -58.99 -55.57 33.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 3.73 110.251 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD2' HD22 ' A' ' 73' ' ' LEU . 20.1 t80 -50.39 -47.35 56.4 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.79 -0.448 . . . . 1.14 109.79 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.83 -54.15 42.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.305 -0.628 . . . . 2.77 109.305 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.538 ' NH2' ' HB3' ' A' ' 17' ' ' ASP . 3.1 tpm_? -50.79 -55.63 15.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 4.35 110.207 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.29 -51.13 47.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.892 0.377 . . . . 2.1 110.115 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -50.7 60.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.173 0.511 . . . . 2.23 110.025 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' NH2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -53.24 -56.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 2.46 110.173 179.016 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -53.47 -36.5 61.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.974 0.416 . . . . 2.49 110.245 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.6 tt0 -63.56 -59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 3.07 109.607 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' CB ' HH22 ' A' ' 87' ' ' ARG . 9.1 tp10 -45.49 -42.49 10.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.629 -0.878 . . . . 2.5 108.629 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.34 56.0 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 1.59 109.241 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 11.2 t90 -50.74 -41.08 56.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.879 -0.6 . . . . 2.24 110.532 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -57.11 -48.86 81.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.991 0.424 . . . . 1.92 109.93 179.163 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 23' ' ' ILE . 14.1 mmtm -60.11 -45.43 93.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.467 . . . . 3.58 109.835 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -37.4 83.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 3.45 110.315 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -61.84 -55.5 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.69 -0.687 . . . . 2.77 109.224 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -41.64 63.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.07 0.462 . . . . 3.62 110.232 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.65 -45.1 81.8 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.018 -0.537 . . . . 3.19 110.829 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.03 -49.01 72.65 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.029 0.443 . . . . 3.08 110.014 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 48' ' ' LYS . 58.7 t -54.58 -36.64 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 2.48 110.608 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -24.13 58.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 3.01 111.38 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -81.09 -44.0 18.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.062 0.393 . . . . 3.19 112.062 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 112.4 0.519 . . . . 4.37 112.4 -178.301 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.795 0.331 . . . . 4.24 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.576 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 19.3 t-20 -69.67 -41.62 75.24 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.011 -0.541 . . . . 3.83 110.148 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.62 -50.21 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.35 -0.611 . . . . 4.27 109.35 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -56.56 -45.2 81.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 5.49 110.825 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -65.68 -37.68 87.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.758 0.313 . . . . 4.3 110.192 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.693 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -60.45 -49.27 78.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 4.17 109.856 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -49.69 -55.46 13.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 3.6 110.514 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -48.97 52.54 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.333 -0.394 . . . . 3.17 110.81 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 55' ' ' GLU . 10.3 ttp180 -65.23 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 4.13 110.405 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.23 -48.13 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 2.9 110.525 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.94 -52.45 64.09 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.953 -0.299 . . . . 3.17 110.243 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.5 75.13 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.041 0.448 . . . . 1.35 109.915 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 51' ' ' ARG . 19.9 mt-10 -52.31 -56.88 11.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.566 -0.743 . . . . 2.6 110.553 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -40.86 14.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.946 -0.57 . . . . 2.67 111.656 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.35 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 1.37 110.889 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.06 -26.35 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 1.43 112.079 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.829 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.7 m80 -76.32 -24.12 54.31 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.818 -0.173 . . . . 2.61 111.183 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.563 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -65.21 -61.02 6.69 Favored Pre-proline 0 C--N 1.331 -0.208 0 N-CA-C 110.108 -0.33 . . . . 3.01 110.108 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 52.5 Cg_exo -56.07 -39.92 88.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.394 2.063 . . . . 1.6 111.834 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.68 -57.64 11.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.916 -0.583 . . . . 1.31 111.386 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.829 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.4 mt -62.4 -45.49 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 1.08 110.907 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.51 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 3.27 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.18 -50.89 12.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 1.14 111.893 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 67' ' ' LEU . 1.1 t -61.32 -47.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.067 0.46 . . . . 1.46 109.977 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -50.0 -52.11 36.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 2.13 110.581 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.55 -49.22 75.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.354 -0.385 . . . . 2.24 110.125 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -53.1 -48.49 67.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.346 -0.388 . . . . 1.02 110.159 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.06 73.76 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.564 -0.827 . . . . 0.79 111.507 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -42.5 65.69 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.424 -0.584 . . . . 3.25 109.424 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -54.43 46.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.814 -0.63 . . . . 3.71 109.616 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 12' ' ' PHE . 8.3 mp -43.88 -44.96 7.28 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.841 -0.618 . . . . 1.52 110.051 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -53.11 -57.64 9.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.737 -0.665 . . . . 1.76 110.58 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -25.57 66.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 2.34 111.364 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.57 -13.18 30.08 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.544 0.572 . . . . 2.89 112.544 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -153.1 -59.0 0.14 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.386 0.513 . . . . 4.42 112.386 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 70.85 -70.33 0.16 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.404 0.44 . . . . 4.87 110.464 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.9 mt -57.72 93.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.054 0 CA-C-N 115.89 -0.595 . . . . 4.56 110.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.94 -61.59 0.66 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.651 -0.979 . . . . 2.87 110.651 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HG2' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.82 -32.5 8.85 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.679 0.276 . . . . 4.4 110.922 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.13 -41.11 12.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.696 0.284 . . . . 3.0 110.95 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -62.28 -43.36 99.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.956 0.407 . . . . 2.94 110.578 179.534 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 17.7 mt -60.13 -42.27 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 2.47 109.892 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.15 -48.42 53.84 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.646 -0.502 . . . . 3.13 109.646 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.55 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 8.9 tt0 -53.02 -50.1 64.92 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.13 -0.486 . . . . 3.09 110.015 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.474 HH22 ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -58.96 -46.85 87.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 4.43 109.893 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.42 -29.61 67.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.925 -0.579 . . . . 1.9 109.982 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 86' ' ' GLN . . . -55.15 -32.86 62.44 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.844 -0.428 . . . . 0.97 109.844 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' A' ' 94' ' ' HIS . 0.9 OUTLIER -65.34 -43.92 89.39 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.423 -0.584 . . . . 2.72 109.423 178.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.801 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.8 t80 -52.21 -54.04 35.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.51 -0.768 . . . . 1.19 110.219 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 92' ' ' VAL . 3.7 t -57.27 -49.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.745 -0.661 . . . . 1.37 110.071 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -49.45 61.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.544 . . . . 1.71 110.549 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.447 ' CG ' ' NE2' ' A' ' 90' ' ' GLN . 0.1 OUTLIER -55.6 -53.79 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.339 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -55.52 -43.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 2.64 110.262 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -52.03 50.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 2.86 110.399 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -47.04 82.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.145 0.498 . . . . 3.03 110.273 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.771 -0.65 . . . . 2.38 110.488 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -52.07 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 4.07 110.313 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.49 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -53.4 -47.87 69.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 3.33 110.604 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.49 ' N ' ' HG2' ' A' ' 100' ' ' GLN . 0.6 OUTLIER -57.85 -49.61 76.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.505 -0.316 . . . . 2.59 110.6 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.93 77.89 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.347 -0.388 . . . . 2.24 110.866 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.35 76.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 2.56 110.663 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.46 72.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 2.74 110.32 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -53.38 -48.86 68.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 4.42 110.775 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.63 89.57 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.896 -0.668 . . . . 3.27 112.333 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.625 0.25 . . . . 4.07 111.024 179.874 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.743 0.306 . . . . 4.11 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.66 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -61.11 -38.69 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.928 -0.397 . . . . 3.73 109.928 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 73' ' ' LEU . 68.4 t80 -51.08 -49.22 61.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.14 110.055 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CZ ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -49.11 -53.37 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 2.77 110.534 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.19 86.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.312 -0.404 . . . . 4.35 110.432 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.66 ' OD2' ' O ' ' A' ' 11' ' ' GLN . 14.5 m-20 -55.65 -45.82 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 2.1 110.288 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.489 ' SD ' ' HG2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.07 -54.24 42.11 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.729 -0.471 . . . . 2.23 109.729 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.54 -51.58 64.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.882 -0.599 . . . . 2.46 109.693 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.05 -45.46 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 2.49 110.437 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 tp10 -64.73 -60.24 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.744 -0.465 . . . . 3.07 109.744 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.4 -33.33 5.85 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.156 0.503 . . . . 2.5 109.788 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -42.41 91.63 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.888 -0.596 . . . . 1.59 109.793 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.638 ' CE3' ' NE2' ' A' ' 59' ' ' HIS . 20.2 t90 -47.84 -47.65 31.34 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.001 -0.74 . . . . 2.24 109.001 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' HA ' ' CE3' ' A' ' 22' ' ' TRP . 27.2 mt -49.88 -56.25 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 N-CA-C 109.081 -0.711 . . . . 1.92 109.081 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -48.03 -46.83 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.294 -0.866 . . . . 3.58 111.186 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.33 -51.46 69.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 3.45 111.232 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -63.22 -41.42 99.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 2.77 110.034 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -46.09 66.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.876 0.37 . . . . 3.62 110.167 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.8 tm? -56.35 -45.6 80.36 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.284 -0.416 . . . . 3.19 110.329 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -44.86 88.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.064 -0.516 . . . . 3.08 110.474 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 26' ' ' LYS . 33.8 t -54.33 -42.4 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.48 110.078 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -39.1 71.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.7 -0.682 . . . . 3.01 110.314 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -66.28 -57.34 7.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.708 -0.678 . . . . 3.19 110.061 179.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 32' ' ' SER . 11.6 mm-40 . . . . . 0 N--CA 1.47 0.537 0 O-C-N 124.618 1.199 . . . . 4.37 110.151 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 N-CA-C 111.568 0.21 . . . . 4.24 111.568 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -65.1 -35.62 81.7 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.815 -0.354 . . . . 3.83 110.584 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.51 -53.0 58.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.641 -0.504 . . . . 4.27 109.641 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -52.04 -40.52 61.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.014 -0.539 . . . . 5.49 110.603 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.99 -45.34 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 4.3 110.63 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -36.75 84.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 4.17 110.326 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.2 -53.49 52.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 3.6 110.59 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -41.71 77.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.288 -0.415 . . . . 3.17 110.966 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.63 -46.92 77.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 4.13 110.137 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.33 -46.18 83.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 2.9 110.681 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HA ' HD23 ' A' ' 56' ' ' LEU . 43.2 tt0 -56.59 -51.42 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.377 -0.374 . . . . 3.17 110.976 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.62 95.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 1.35 110.104 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 1.6 tp10 -58.09 -53.63 56.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 2.6 111.47 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -61.83 -37.94 86.34 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.926 0.343 . . . . 2.67 111.926 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 56' ' ' LEU . . . -58.93 -47.85 83.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.475 -0.33 . . . . 1.37 111.856 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.6 -35.5 39.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.605 0.594 . . . . 1.43 112.605 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.638 ' NE2' ' CE3' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -66.03 -33.62 76.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.935 0.717 . . . . 2.61 112.935 -178.264 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.574 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -59.87 -62.98 4.79 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 119.655 -0.818 . . . . 3.01 110.16 -179.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.574 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 27.9 Cg_exo -63.43 -41.96 23.92 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.201 1.934 . . . . 1.6 112.33 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -61.25 -55.59 30.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.931 -0.577 . . . . 1.31 112.51 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.582 HD11 ' CD2' ' A' ' 59' ' ' HIS . 65.8 mt -68.08 -45.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.708 -0.224 . . . . 1.08 111.069 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -53.29 -51.98 60.56 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.884 -0.413 . . . . 3.27 109.884 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.9 -45.54 19.18 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.664 -0.779 . . . . 1.14 111.485 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' ALA . 25.6 t -57.15 -57.97 7.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.018 0.437 . . . . 1.46 110.009 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -49.39 -50.19 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 2.13 110.347 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.48 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 2.24 110.744 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 m -56.3 -46.03 79.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 1.02 110.144 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.67 -45.81 54.36 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.809 -0.71 . . . . 0.79 111.962 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -43.47 74.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.088 0.471 . . . . 3.25 109.86 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -62.15 -49.9 74.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.896 -0.593 . . . . 3.71 109.653 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 12' ' ' PHE . 3.8 mp -46.19 -40.54 11.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.758 -0.655 . . . . 1.52 110.383 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.481 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . 2.6 m -58.76 -53.3 59.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 1.76 110.944 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -34.92 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 2.34 111.238 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -73.67 -37.21 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 2.89 111.593 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 80' ' ' GLY . 6.1 t30 -84.05 157.58 21.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.149 0.499 . . . . 4.42 111.998 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 p -79.81 -66.09 0.92 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.666 -0.697 . . . . 4.87 111.163 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.0 pt -123.7 -49.67 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.247 -0.433 . . . . 4.56 111.692 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' N ' ' ND2' ' A' ' 77' ' ' ASN . . . -31.22 -32.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 114.512 0.565 . . . . 2.87 114.512 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.43 -32.34 7.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.914 0.357 . . . . 4.4 111.944 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.41 -49.96 53.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.311 . . . . 3.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.6 -48.46 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 2.94 110.034 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.405 HD13 HH21 ' A' ' 87' ' ' ARG . 14.7 mm -54.35 -46.06 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 2.47 110.555 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -48.3 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 3.13 110.799 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -59.98 -44.56 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.376 . . . . 3.09 110.142 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.489 ' HG2' ' SD ' ' A' ' 16' ' ' MET . 20.6 ttp85 -59.48 -51.7 68.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 4.43 110.82 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.836 HD12 HD22 ' A' ' 67' ' ' LEU . 4.0 mm? -58.24 -44.33 88.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 1.9 110.245 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.12 74.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.97 110.249 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.48 -47.28 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 2.72 109.686 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' HG3' ' A' ' 19' ' ' GLU . 3.9 t80 -49.07 -50.88 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.669 -0.696 . . . . 1.19 110.168 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 92' ' ' VAL . 2.5 t -53.53 -56.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.37 110.458 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.753 ' OD1' ' C ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.85 -49.27 49.74 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.846 -0.427 . . . . 1.71 109.846 179.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.587 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 31.2 m170 -52.08 -58.34 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 2.46 110.752 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -54.14 -40.51 67.48 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.473 -0.33 . . . . 2.64 110.946 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.495 ' HG3' HE22 ' A' ' 100' ' ' GLN . 0.0 OUTLIER -56.38 -49.66 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 2.86 110.791 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 96' ' ' LYS . 3.9 mm-40 -63.17 -39.51 94.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 3.03 110.378 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.8 -45.42 89.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.613 . . . . 2.38 110.353 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.34 -52.34 65.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 4.07 109.957 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.495 HE22 ' HG3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -53.13 -53.18 54.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 3.33 110.369 178.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.92 -48.11 64.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.375 -0.375 . . . . 2.59 110.776 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.11 -46.9 78.96 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.242 -0.435 . . . . 2.24 110.838 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 2.56 110.588 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 2.74 110.682 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -49.75 -44.44 48.6 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.799 -0.445 . . . . 4.42 109.799 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.59 -37.63 95.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 110.772 -0.931 . . . . 3.27 110.772 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 121.174 0.511 . . . . 4.07 109.63 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.58 0.229 . . . . 4.11 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.7 -45.62 81.69 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.152 -0.314 . . . . 3.73 110.152 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -50.47 -48.01 56.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.86 0.362 . . . . 1.14 110.073 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -48.1 74.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.656 -0.498 . . . . 2.77 109.656 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.453 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -57.25 -50.35 73.16 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.009 -0.541 . . . . 4.35 110.095 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.17 -50.48 61.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.961 0.41 . . . . 2.1 110.033 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -54.5 -56.33 19.9 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.987 -0.551 . . . . 2.23 110.636 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.45 -41.17 76.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.107 -0.497 . . . . 2.46 110.264 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.453 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -54.73 -46.37 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 2.49 110.068 179.319 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 6.7 mt-10 -57.38 -60.25 3.92 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.642 -0.503 . . . . 3.07 109.642 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.565 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.1 tp10 -45.73 -45.39 14.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.663 -0.495 . . . . 2.5 109.663 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.64 -47.49 40.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.59 110.81 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 49.0 t90 -45.72 -45.57 14.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.683 -0.235 . . . . 2.24 111.505 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 20' ' ' GLU . 3.5 mt -54.2 -53.79 26.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.88 0.371 . . . . 1.92 110.528 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HZ3' ' CD ' ' A' ' 25' ' ' GLU . 6.4 ttpm? -55.45 -47.75 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.571 . . . . 3.58 111.081 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.438 ' CD ' ' HZ3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.91 -37.05 85.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.042 -0.526 . . . . 3.45 110.721 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.2 -50.49 67.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 2.77 109.842 179.317 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.53 -47.89 19.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.74 -0.467 . . . . 3.62 109.74 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.75 -42.2 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.839 -0.618 . . . . 3.19 110.286 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.61 -37.44 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.751 -0.659 . . . . 3.08 110.934 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 26' ' ' LYS . 38.7 t -55.41 -40.14 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 2.48 110.945 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 p -74.16 -24.71 59.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 3.01 111.452 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 11.7 p -77.99 -44.79 25.61 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.448 -0.342 . . . . 3.19 111.329 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' SER . 3.0 mm-40 . . . . . 0 N--CA 1.465 0.324 0 CA-C-N 115.914 -0.584 . . . . 4.37 111.327 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.985 0.422 . . . . 4.24 110.299 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -68.02 -44.32 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 3.83 110.134 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.44 -54.35 44.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 4.27 109.862 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -50.89 -42.02 58.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.995 -0.548 . . . . 5.49 111.106 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -44.09 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 4.3 110.386 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.22 95.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 4.17 110.389 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CE1' HH21 ' A' ' 105' ' ' ARG . 7.3 t-80 -59.2 -55.55 33.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 3.6 110.542 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -37.32 73.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.04 -0.527 . . . . 3.17 110.514 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -61.4 -48.32 81.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 4.13 110.225 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.49 -53.52 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 2.9 110.407 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.91 -48.72 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 3.17 111.165 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.49 96.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.063 0.458 . . . . 1.35 110.435 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.44 -55.21 37.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 2.6 110.536 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.37 -41.62 63.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.378 -0.374 . . . . 2.67 111.373 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -51.2 64.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 1.37 110.976 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -28.36 69.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.43 112.036 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 6.0 m-70 -68.81 -47.13 66.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 119.571 -0.252 . . . . 2.61 111.013 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.506 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -38.87 -61.97 0.83 Allowed Pre-proline 0 N--CA 1.463 0.19 0 C-N-CA 120.904 -0.318 . . . . 3.01 110.265 -179.493 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 74.2 Cg_exo -42.56 -46.97 7.88 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.152 1.901 . . . . 1.6 112.285 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.55 -23.64 42.69 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.243 0.46 . . . . 1.31 112.243 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 HG23 ' HE1' ' A' ' 91' ' ' PHE . 1.2 mm -72.59 -48.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.648 . . . . 1.08 109.252 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.1 -42.74 99.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.795 -0.817 . . . . 3.27 108.795 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.52 -49.06 11.78 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.839 -0.619 . . . . 1.14 112.141 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -55.94 -51.8 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.085 0 CA-C-N 117.09 0.445 . . . . 1.46 110.101 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.553 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -55.52 -51.31 67.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.839 -0.43 . . . . 2.13 109.839 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -52.09 27.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.906 -0.588 . . . . 2.24 110.465 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.5 m -60.4 -49.15 78.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.588 -0.523 . . . . 1.02 109.588 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.47 -39.27 29.22 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.911 -0.876 . . . . 0.79 110.911 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.58 -44.28 96.71 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.448 -0.575 . . . . 3.25 109.448 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -59.14 -38.12 78.9 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.943 -0.762 . . . . 3.71 108.943 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.8 -42.9 97.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.625 -1.17 . . . . 1.52 109.965 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 t -64.45 -38.8 92.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.48 -0.782 . . . . 1.76 112.083 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -39.22 -60.83 0.85 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.564 0.209 . . . . 2.34 111.564 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -37.18 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 2.89 110.639 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.583 HD22 ' N ' ' A' ' 77' ' ' ASN . 0.9 OUTLIER -77.24 68.27 3.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.122 0.487 . . . . 4.42 110.218 179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -58.1 -73.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 4.87 111.031 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 pt -94.83 118.74 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 4.56 111.171 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.14 -32.87 3.17 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.131 -0.557 . . . . 2.87 111.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -53.68 -21.29 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.062 0.393 . . . . 4.4 112.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.92 -44.94 1.76 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.687 0.28 . . . . 3.0 111.259 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.64 -52.83 63.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.359 -0.382 . . . . 2.94 110.385 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.2 mt -56.79 -45.51 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 2.47 110.18 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.66 74.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 3.13 110.146 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 86' ' ' GLN . 0.7 OUTLIER -58.05 -49.67 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 3.09 110.064 178.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -57.31 -51.27 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 4.43 111.052 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -61.12 -39.52 90.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 1.9 110.562 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -32.71 73.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.97 110.441 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -49.79 66.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.715 -0.675 . . . . 2.72 109.837 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 34.7 t80 -56.63 -49.76 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.787 -0.642 . . . . 1.19 109.779 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 88' ' ' LEU . 87.4 t -52.19 -51.14 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.37 110.344 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.93 -53.62 46.75 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.681 -0.489 . . . . 1.71 109.681 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -49.08 -55.67 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 2.46 110.286 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -53.23 -48.28 68.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.68 -0.691 . . . . 2.64 110.447 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.525 -0.762 . . . . 2.86 110.808 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 96' ' ' LYS . 1.5 tt0 -58.18 -49.61 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 3.03 110.707 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.76 -46.72 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 2.38 110.471 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -59.42 -47.1 86.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 4.07 110.117 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -55.19 -52.68 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.957 -0.565 . . . . 3.33 110.503 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.44 -48.16 74.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.367 -0.379 . . . . 2.59 110.5 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.16 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.458 . . . . 2.24 111.243 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.05 94.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.959 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.89 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 2.74 110.5 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.562 HH21 ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -56.9 -50.65 71.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 4.42 110.551 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.22 91.8 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.831 -0.7 . . . . 3.27 112.633 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 4.07 110.686 -179.805 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 11' ' ' GLN . 4.4 p-80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.506 0.193 . . . . 4.11 111.409 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.407 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 3.7 pt20 -61.31 -34.88 75.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.732 -0.387 . . . . 3.73 110.041 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -51.5 -50.63 59.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.408 -0.36 . . . . 1.14 110.2 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.772 -0.371 . . . . 2.77 110.369 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -52.72 64.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.305 -0.407 . . . . 4.35 110.52 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 1.006 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 2.3 m-20 -55.43 -45.58 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 2.1 109.999 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.418 ' SD ' ' NH2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.02 -52.88 59.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 2.23 110.026 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -52.06 -55.02 23.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.083 -0.508 . . . . 2.46 110.482 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.006 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 4.3 p30 -53.06 -41.93 65.31 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.167 0.508 . . . . 2.49 109.753 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HG3' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tp10 -60.98 -60.94 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 3.07 110.05 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.971 ' OE2' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.54 -35.84 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.371 -0.603 . . . . 2.5 109.371 177.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 24.5 m -63.64 -37.45 87.39 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.953 -0.567 . . . . 1.59 109.656 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.921 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -44.71 -44.82 9.44 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.1 -0.333 . . . . 2.24 110.1 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.736 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -57.18 -51.28 71.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.325 -0.398 . . . . 1.92 110.485 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -53.56 -46.79 70.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.415 -0.357 . . . . 3.58 111.002 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.94 -45.91 91.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 3.45 110.625 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -61.79 -48.71 79.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 2.77 110.95 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -60.01 -38.44 82.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.477 -0.329 . . . . 3.62 110.664 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.26 -40.64 86.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.888 0.375 . . . . 3.19 110.139 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -48.98 77.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.876 -0.602 . . . . 3.08 110.749 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 26' ' ' LYS . 12.0 t -58.16 -37.89 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.04 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -80.28 -22.24 41.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.548 . . . . 3.01 111.662 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -76.85 -51.44 11.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 3.19 111.085 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CD ' HH12 ' A' ' 105' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.988 -0.551 . . . . 4.37 110.415 -179.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.783 0.325 . . . . 4.24 110.678 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -65.92 -48.57 70.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 3.83 110.12 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.2 -49.89 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 4.27 109.902 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.87 62.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.15 -0.477 . . . . 5.49 110.495 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -61.75 -46.17 90.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.297 -0.41 . . . . 4.3 110.179 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.81 -49.15 74.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.535 . . . . 4.17 110.021 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -50.01 -54.16 21.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.935 -0.575 . . . . 3.6 110.483 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -44.24 62.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 3.17 110.408 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.516 ' HE ' ' CD ' ' A' ' 55' ' ' GLU . 4.0 tpt180 -59.16 -41.55 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.082 -0.508 . . . . 4.13 110.213 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' HD23 ' A' ' 56' ' ' LEU . 44.5 mt -64.04 -50.45 68.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 2.9 109.927 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -49.87 -44.49 49.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.17 110.497 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.61 56.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.219 -0.446 . . . . 1.35 110.475 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.516 ' CD ' ' HE ' ' A' ' 51' ' ' ARG . 31.9 mt-10 -54.94 -47.43 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 2.6 110.515 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 52' ' ' LEU . 3.6 mm? -53.66 -44.85 69.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.875 -0.602 . . . . 2.67 111.141 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 1.37 111.297 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.09 40.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 1.43 111.163 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 1.093 ' CE1' HD11 ' A' ' 63' ' ' ILE . 36.6 t60 -75.69 -21.12 57.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.031 -0.532 . . . . 2.61 111.159 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -66.8 -61.76 4.61 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.478 -0.564 . . . . 3.01 109.478 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 54.0 Cg_exo -52.69 -41.81 66.75 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.336 2.024 . . . . 1.6 111.459 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.73 66.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.669 -0.696 . . . . 1.31 111.408 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.093 HD11 ' CE1' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -55.84 -52.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 1.08 110.115 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -54.51 -51.79 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 3.27 110.337 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.63 28.89 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.769 -0.729 . . . . 1.14 111.926 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.5 t -57.22 -54.81 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 CA-C-O 120.985 0.421 . . . . 1.46 110.313 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.81 -50.2 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 2.13 110.884 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.13 -48.61 75.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.622 -0.263 . . . . 2.24 110.882 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 m -58.94 -50.92 72.23 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.172 -0.307 . . . . 1.02 110.172 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.01 69.22 Favored Glycine 0 C--N 1.336 0.58 0 C-N-CA 120.213 -0.994 . . . . 0.79 110.9 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -34.17 76.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.085 0.469 . . . . 3.25 109.92 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -51.82 68.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.998 -0.547 . . . . 3.71 110.342 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -36.88 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 1.52 110.422 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.473 ' HA ' ' HG3' ' A' ' 81' ' ' LYS . 19.7 m -63.18 -46.48 86.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.783 -0.644 . . . . 1.76 111.361 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -60.49 -34.52 74.17 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.617 -0.433 . . . . 2.34 109.846 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -71.74 -32.74 68.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 2.89 109.925 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 79.01 37.86 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.458 -0.792 . . . . 4.42 110.639 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 p -74.49 143.18 44.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 4.87 110.825 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.38 113.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . 4.56 110.669 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.84 -21.34 5.6 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.167 -0.539 . . . . 2.87 111.811 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HG3' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.26 -45.38 34.37 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 111.493 0.182 . . . . 4.4 111.493 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -55.0 -56.48 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 3.0 110.917 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.95 -46.02 74.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 2.94 110.229 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.6 -48.85 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 2.47 110.947 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.62 -43.75 76.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 3.13 110.515 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -49.55 76.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.994 0.426 . . . . 3.09 109.917 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH2' ' SD ' ' A' ' 16' ' ' MET . 8.7 mtp180 -58.28 -50.45 73.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.907 -0.588 . . . . 4.43 110.472 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -55.13 -43.41 74.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.05 -0.523 . . . . 1.9 110.509 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.48 77.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.97 110.439 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -47.86 83.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 2.72 109.852 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.971 ' CD1' ' OE2' ' A' ' 20' ' ' GLU . 81.4 t80 -52.94 -50.57 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 1.19 110.393 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 88' ' ' LEU . 43.3 t -55.24 -52.77 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.48 -0.327 . . . . 1.37 110.345 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.887 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -49.56 -52.96 26.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.278 -0.419 . . . . 1.71 110.113 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.887 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 12.2 m-70 -54.5 -56.98 13.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.791 -0.448 . . . . 2.46 109.791 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.499 ' NE1' ' HD2' ' A' ' 59' ' ' HIS . 6.9 t90 -44.66 -43.65 8.46 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 2.64 111.496 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -53.3 -53.52 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 2.86 110.786 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HG2' ' N ' ' A' ' 98' ' ' LEU . 1.9 pt-20 -56.67 -43.6 80.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.459 -0.337 . . . . 3.03 111.102 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.551 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -62.41 -45.86 91.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 2.38 110.856 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.442 ' NZ ' ' CH2' ' A' ' 95' ' ' TRP . 2.0 tttp -59.0 -45.2 91.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.634 -0.506 . . . . 4.07 109.634 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.4 -55.25 37.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.142 -0.481 . . . . 3.33 109.841 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -47.61 -49.24 27.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.211 -0.449 . . . . 2.59 110.498 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -52.18 39.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.963 0.411 . . . . 2.24 110.548 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.69 68.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.059 -0.519 . . . . 2.56 110.5 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.89 65.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.965 -0.561 . . . . 2.74 110.445 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.513 HH12 ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -52.48 -50.59 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 4.42 110.166 179.348 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.21 -41.51 70.5 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 3.27 112.192 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 4.07 110.579 179.524 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.457 0.17 . . . . 4.11 110.694 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -42.98 95.04 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.701 -0.481 . . . . 3.73 109.701 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -49.42 -53.73 21.23 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.508 -0.552 . . . . 1.14 109.508 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -52.58 -45.11 66.32 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.72 -0.474 . . . . 2.77 109.72 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 1.023 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.28 -53.49 55.45 Favored 'General case' 0 C--N 1.334 -0.08 0 N-CA-C 109.739 -0.467 . . . . 4.35 109.739 178.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.815 ' HA ' ' CG ' ' A' ' 18' ' ' ASP . 3.1 m-20 -52.81 -48.38 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.538 -0.541 . . . . 2.1 109.538 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.6 mtp -51.32 -56.6 12.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.075 -0.511 . . . . 2.23 110.217 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -53.86 -46.91 71.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.134 -0.485 . . . . 2.46 110.002 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.023 ' OD2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -50.86 -48.11 60.24 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.544 -0.539 . . . . 2.49 109.544 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 3.9 tp10 -60.82 -57.97 10.43 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.02 -0.733 . . . . 3.07 109.02 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.51 -38.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.58 -0.737 . . . . 2.5 109.999 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -44.95 95.8 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.022 -0.536 . . . . 1.59 110.106 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.608 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 18.2 t90 -48.97 -45.38 42.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.171 -0.468 . . . . 2.24 109.883 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.023 HG23 HD11 ' A' ' 98' ' ' LEU . 96.5 mt -46.58 -60.02 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.98 0.419 . . . . 1.92 110.089 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -42.11 63.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 3.58 110.951 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.62 -49.54 77.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 3.45 111.072 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.92 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.36 . . . . 2.77 110.194 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -53.75 -41.64 67.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.92 -0.4 . . . . 3.62 109.92 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -67.1 -38.26 85.35 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.107 -0.497 . . . . 3.19 109.945 179.262 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.08 -45.67 86.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.011 -0.541 . . . . 3.08 110.083 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 105' ' ' ARG . 73.7 t -51.46 -50.79 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 2.48 109.881 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -37.59 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 3.01 110.291 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.8 m -61.65 -49.92 74.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.862 -0.608 . . . . 3.19 110.611 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.421 . . . . 4.37 110.587 179.615 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.69 0.281 . . . . 4.24 110.524 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.63 -39.12 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 3.83 110.305 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -64.33 -55.91 18.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.068 -0.515 . . . . 4.27 109.644 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -52.44 -31.86 36.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.773 -0.649 . . . . 5.49 109.967 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -53.99 43.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 4.3 110.244 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -59.16 -38.54 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 4.17 109.801 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -55.52 33.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 3.6 110.477 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.9 70.02 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.336 -0.393 . . . . 3.17 110.614 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' NH2' ' OE2' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -60.31 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 4.13 109.989 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 102' ' ' ALA . 9.0 mt -61.03 -43.69 98.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 2.9 110.234 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.46 79.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.082 -0.508 . . . . 3.17 110.475 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.46 95.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.082 0.468 . . . . 1.35 109.786 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.732 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -55.12 -54.98 36.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 2.6 110.652 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.26 -41.36 96.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.981 -0.554 . . . . 2.67 112.234 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.18 -52.36 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.929 0.395 . . . . 1.37 111.426 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -30.85 37.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.526 . . . . 1.43 112.076 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.712 ' CD2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.07 -25.86 65.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 112.842 0.682 . . . . 2.61 112.842 -178.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.588 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -63.03 -62.97 4.68 Favored Pre-proline 0 C--N 1.322 -0.621 0 C-N-CA 118.94 -1.104 . . . . 3.01 108.993 179.302 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.588 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.2 Cg_exo -63.08 -36.54 58.2 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.114 1.876 . . . . 1.6 112.64 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -54.2 8.51 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.641 0.608 . . . . 1.31 112.641 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.712 HD11 ' CD2' ' A' ' 59' ' ' HIS . 3.1 mm -63.7 -46.96 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.386 -0.37 . . . . 1.08 110.847 -179.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -49.18 78.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.737 -0.468 . . . . 3.27 109.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.64 -52.85 14.22 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.085 -0.578 . . . . 1.14 112.599 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 117.205 0.503 . . . . 1.46 110.295 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.47 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -53.84 -50.75 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 2.13 111.129 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.94 -47.53 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 2.24 110.84 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.6 m -59.18 -51.65 69.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.423 -0.353 . . . . 1.02 110.091 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.82 82.85 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.473 -0.87 . . . . 0.79 111.637 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -46.64 65.33 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.979 -0.378 . . . . 3.25 109.979 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -55.61 -58.22 8.7 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.038 -0.528 . . . . 3.71 110.167 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.3 mp -45.04 -38.5 4.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 1.52 111.008 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -32.53 72.95 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.345 0.868 . . . . 1.76 113.345 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -51.42 -24.03 4.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.357 0.502 . . . . 2.34 112.357 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 145.57 -37.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.889 0.476 . . . . 2.89 110.868 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -56.74 152.0 13.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.576 . . . . 4.42 111.345 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m 64.26 108.83 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.771 -0.649 . . . . 4.87 111.561 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.41 146.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.143 -0.48 . . . . 4.56 110.479 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.556 ' O ' ' OE1' ' A' ' 83' ' ' GLU . . . 91.64 -2.01 76.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 2.87 111.886 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -42.26 -45.21 4.09 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 122.1 0.16 . . . . 4.4 111.374 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 82' ' ' GLU . 11.2 mm-40 -52.4 -57.58 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 3.0 110.941 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -53.38 -47.0 69.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.065 0.459 . . . . 2.94 109.823 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.08 -46.3 84.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 2.47 110.175 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.78 -44.44 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.755 -0.657 . . . . 3.13 110.436 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.57 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 3.09 109.849 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -47.5 76.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.867 -0.606 . . . . 4.43 110.634 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.8 tp -57.91 -46.35 85.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 1.9 110.151 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.23 70.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.914 -0.585 . . . . 0.97 110.213 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.47 -47.24 73.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.572 -0.74 . . . . 2.72 109.903 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 7.6 t80 -54.22 -47.92 71.63 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.148 -0.478 . . . . 1.19 109.748 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.0 t -53.62 -53.03 28.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.27 -0.423 . . . . 1.37 109.928 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -50.54 58.64 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.536 -0.542 . . . . 1.71 109.536 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -51.43 -58.4 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.798 -0.637 . . . . 2.46 110.085 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 98' ' ' LEU . 10.7 t90 -52.32 -43.85 64.76 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.184 -0.462 . . . . 2.64 110.834 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -51.84 59.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 2.86 110.461 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.84 -47.51 82.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 3.03 110.442 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.023 HD11 HG23 ' A' ' 23' ' ' ILE . 15.3 mt -56.87 -45.07 82.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 2.38 111.027 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -57.28 -49.63 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 4.07 110.073 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -59.72 -50.49 73.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.897 0.379 . . . . 3.33 110.12 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.5 tp -51.87 -46.07 64.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 2.59 110.527 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -53.54 -52.22 60.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 2.24 110.794 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.79 65.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.137 -0.483 . . . . 2.56 110.876 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.83 87.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 2.74 110.832 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.688 ' HG3' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.89 -42.11 75.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 4.42 110.326 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.39 98.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.004 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.785 0.326 . . . . 4.07 110.316 179.643 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.491 ' ND1' ' N ' ' A' ' 11' ' ' GLN . 20.6 p80 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 111.809 0.3 . . . . 4.11 111.809 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.491 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 1.2 mm100 -64.27 -37.48 87.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 3.73 110.496 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -57.17 -44.83 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 1.14 110.034 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -51.97 67.02 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.837 -0.431 . . . . 2.77 109.837 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NH1' ' HA ' ' A' ' 15' ' ' ASP . 5.2 tmm_? -55.71 -49.07 74.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.04 -0.527 . . . . 4.35 109.714 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.461 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 2.2 m-20 -50.35 -54.13 23.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.578 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.1 ttp -54.13 -52.36 61.32 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.869 0.366 . . . . 2.23 110.451 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -54.49 -44.95 73.11 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.582 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.48 -46.66 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.532 -0.304 . . . . 2.49 110.871 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' OE2' ' CZ ' ' A' ' 91' ' ' PHE . 2.6 tm-20 -66.42 -57.8 6.64 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.174 -0.676 . . . . 3.07 109.174 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 1.29 ' OE1' ' HB2' ' A' ' 91' ' ' PHE . 1.1 tp10 -47.56 -36.2 10.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.955 -0.566 . . . . 2.5 109.808 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.456 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -65.71 -46.5 78.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.811 -0.631 . . . . 1.59 109.832 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CD1' ' OE2' ' A' ' 25' ' ' GLU . 19.3 t90 -52.72 -42.2 64.65 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.174 -0.467 . . . . 2.24 109.783 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mt -49.32 -56.61 2.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.021 0.438 . . . . 1.92 110.362 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 12.3 mtmm -50.21 -52.14 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 3.58 111.186 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.804 ' OE2' ' CD1' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -54.83 -46.35 74.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.373 . . . . 3.45 111.353 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.647 ' N ' ' HG2' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -63.28 -47.92 80.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.879 -0.328 . . . . 2.77 110.684 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -41.34 43.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.078 0.466 . . . . 3.62 109.934 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.68 -38.26 83.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 3.19 110.12 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -44.53 96.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.646 -0.706 . . . . 3.08 110.995 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -60.14 -45.21 96.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.754 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.412 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 17.4 m -53.03 -34.46 56.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.12 -0.491 . . . . 3.01 110.635 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 m -80.29 -49.12 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 3.19 110.679 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.83 ' HA ' ' OE1' ' A' ' 33' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.116 0 CA-C-N 116.138 -0.483 . . . . 4.37 110.736 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 C--O 1.231 0.123 0 N-CA-C 111.738 0.273 . . . . 4.24 111.738 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.412 ' CG ' ' HZ2' ' A' ' 48' ' ' LYS . 20.9 t-20 -69.63 -32.78 71.68 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.047 -0.353 . . . . 3.83 110.047 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD21 ' O ' ' A' ' 33' ' ' GLU . 16.2 mt -64.7 -57.4 9.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.393 -0.367 . . . . 4.27 110.289 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -39.2 76.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.915 -0.314 . . . . 5.49 111.215 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -64.57 -47.93 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 4.3 110.089 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HZ2' ' CG ' ' A' ' 44' ' ' ASN . 11.8 mttp -62.01 -40.82 96.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 4.17 110.081 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.91 71.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 3.6 110.236 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -52.15 -41.58 62.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.824 0.345 . . . . 3.17 110.344 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.44 HH11 ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.25 -42.64 88.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 4.13 109.876 179.053 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.34 -49.65 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 2.9 110.447 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.75 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 3.17 110.489 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.36 92.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 1.35 110.156 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.19 -56.33 22.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.597 -0.729 . . . . 2.6 110.602 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.02 -40.34 66.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 2.67 111.616 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -63.0 -50.05 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 1.37 111.19 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.39 -29.79 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.63 0.604 . . . . 1.43 112.63 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 32.3 m-70 -68.33 -49.29 61.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.828 -0.349 . . . . 2.61 110.895 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 3.4 tp10 -38.81 -60.93 1.0 Allowed Pre-proline 0 N--CA 1.463 0.225 0 O-C-N 123.243 0.339 . . . . 3.01 110.685 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 71.5 Cg_exo -38.81 -47.75 2.74 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.839 1.693 . . . . 1.6 111.86 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.879 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -80.47 -28.59 37.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.942 -0.572 . . . . 1.31 112.151 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.504 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 1.3 mm -65.33 -45.6 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.175 -0.676 . . . . 1.08 109.175 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -73.8 -41.13 62.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.244 -1.021 . . . . 3.27 108.244 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.83 -41.17 35.54 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.32 -0.855 . . . . 1.14 111.505 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 62' ' ' ALA . 58.5 t -59.18 -57.85 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 109.488 -0.56 . . . . 1.46 109.488 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.97 -49.12 60.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 2.13 110.19 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.03 -51.55 63.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.716 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 m -56.48 -50.61 71.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.609 -0.515 . . . . 1.02 109.609 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.0 46.64 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 120.415 -0.897 . . . . 0.79 111.213 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -39.14 80.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.638 -0.504 . . . . 3.25 109.638 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -48.93 79.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.565 . . . . 3.71 109.759 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mp -52.31 -43.39 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 1.52 109.779 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.6 t -54.65 -49.35 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 1.76 112.482 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -40.19 96.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.663 0.616 . . . . 2.34 112.663 -177.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.15 -27.98 38.95 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.651 -0.42 . . . . 2.89 111.954 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.5 152.98 12.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.894 0.378 . . . . 4.42 111.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -127.95 34.79 4.55 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.221 -0.445 . . . . 4.87 111.195 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.9 mt -92.01 59.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.037 0.446 . . . . 4.56 110.312 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.569 ' HA2' ' OE2' ' A' ' 83' ' ' GLU . . . 135.61 -8.24 4.28 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.867 -0.606 . . . . 2.87 112.043 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -47.01 -59.31 3.2 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.681 0.277 . . . . 4.4 110.96 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -40.14 -59.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 3.0 111.345 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.569 ' OE2' ' HA2' ' A' ' 80' ' ' GLY . 0.3 OUTLIER -54.48 -47.4 73.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.027 0.442 . . . . 2.94 110.443 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.1 mm -55.92 -44.82 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 2.47 110.502 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -49.67 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 3.13 110.733 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -55.1 -51.16 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.254 -0.43 . . . . 3.09 110.362 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.09 78.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 4.43 110.627 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.4 tp -55.75 -37.9 69.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 1.9 110.626 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.97 110.604 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.39 -45.64 75.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 2.72 109.855 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 1.29 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 27.9 t80 -55.72 -50.35 70.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.686 -0.688 . . . . 1.19 110.376 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.84 -50.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 1.37 110.212 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.13 -50.0 62.59 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.409 -0.36 . . . . 1.71 110.209 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -52.48 -55.33 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 2.46 109.884 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -51.12 -48.71 61.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.809 -0.632 . . . . 2.64 110.038 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -52.96 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.429 -0.805 . . . . 2.86 111.189 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.6 -42.99 84.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.801 0.334 . . . . 3.03 110.388 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -59.23 -48.7 80.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 2.38 110.278 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -57.49 -48.93 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.635 . . . . 4.07 110.228 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 3.33 110.326 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.33 -46.98 73.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.266 -0.425 . . . . 2.59 109.985 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.05 -51.09 59.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 2.24 110.491 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.29 -50.98 61.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.027 -0.533 . . . . 2.56 110.621 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.87 79.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.968 -0.56 . . . . 2.74 110.236 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -41.04 82.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 4.42 110.218 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.22 -39.22 63.64 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.9 -0.667 . . . . 3.27 111.927 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 120.945 0.402 . . . . 4.07 109.999 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.5 t60 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.562 0.22 . . . . 4.11 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.87 -46.86 84.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.32 0.581 . . . . 3.73 109.604 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -48.51 -42.98 34.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.666 -0.697 . . . . 1.14 110.612 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.82 -50.51 66.0 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.934 -0.395 . . . . 2.77 109.934 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -47.68 85.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.53 -0.545 . . . . 4.35 109.53 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.63 -49.24 38.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 2.1 110.769 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 13.3 mtm -59.16 -52.28 66.37 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.091 0.472 . . . . 2.23 110.178 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -54.23 -43.79 71.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.038 -0.356 . . . . 2.46 110.038 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -46.44 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 2.49 110.959 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 16' ' ' MET . 16.9 pt-20 -65.09 -53.39 46.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.625 -0.509 . . . . 3.07 109.625 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.542 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -47.96 -43.43 29.35 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.447 -0.575 . . . . 2.5 109.447 177.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.461 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 2.3 t -59.64 -50.41 73.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.18 -0.464 . . . . 1.59 109.892 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 31.0 t90 -50.35 -45.82 55.3 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 110.065 -0.346 . . . . 2.24 110.065 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 98' ' ' LEU . 4.3 mt -49.31 -58.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 120.806 0.336 . . . . 1.92 110.184 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' A' ' 21' ' ' SER . 8.0 mtmp? -49.15 -49.91 40.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 3.58 110.975 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.63 -47.91 75.83 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.968 -0.56 . . . . 3.45 111.33 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.86 -45.16 90.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.998 -0.371 . . . . 2.77 109.998 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -48.83 -42.3 35.75 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.664 -0.495 . . . . 3.62 109.664 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.4 tm? -57.12 -43.8 82.67 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.01 -0.541 . . . . 3.19 110.012 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.693 HD13 HH22 ' A' ' 51' ' ' ARG . 35.9 mt -55.31 -43.52 74.92 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.026 -0.534 . . . . 3.08 110.304 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 t -53.96 -39.08 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.971 0.415 . . . . 2.48 110.009 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -27.49 65.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.603 -0.726 . . . . 3.01 110.918 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.7 ' OG ' ' OE2' ' A' ' 33' ' ' GLU . 4.5 p -80.86 -35.27 32.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 3.19 110.982 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.7 ' OE2' ' OG ' ' A' ' 32' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.268 0 CA-C-N 115.899 -0.592 . . . . 4.37 111.938 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.727 0.299 . . . . 4.24 110.849 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -64.96 -32.49 74.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 3.83 110.306 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 45' ' ' LEU . 9.7 tp -65.22 -60.57 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 4.27 110.111 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH2' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 5.49 110.075 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -50.5 67.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.711 -0.677 . . . . 4.3 110.368 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -59.4 -43.96 92.89 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.467 -0.568 . . . . 4.17 109.467 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 2.2 m-70 -51.01 -53.96 28.76 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.8 -0.636 . . . . 3.6 110.827 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -49.06 -46.36 44.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.879 0.371 . . . . 3.17 110.827 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.693 HH22 HD13 ' A' ' 29' ' ' LEU . 1.4 mtp85 -67.91 -34.31 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 4.13 110.435 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.0 -42.45 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 2.9 110.358 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.723 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -56.15 -51.5 67.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.032 -0.358 . . . . 3.17 110.032 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.49 74.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.216 0.532 . . . . 1.35 109.82 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 22.5 mt-10 -52.24 -53.46 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.376 -0.829 . . . . 2.6 110.499 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 32.0 tp -51.23 -44.72 61.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.998 -0.546 . . . . 2.67 111.176 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.73 23.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 1.37 111.524 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -35.28 29.72 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.506 0.558 . . . . 1.43 112.506 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.619 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 50.0 m80 -62.49 -31.07 71.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.554 0.216 . . . . 2.61 111.506 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.569 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -61.5 -65.34 2.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 C-N-CA 119.623 -0.831 . . . . 3.01 110.414 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.1 Cg_exo -59.14 -40.07 73.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.621 1.547 . . . . 1.6 113.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.75 -50.95 12.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.952 0.723 . . . . 1.31 112.952 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -76.78 -39.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.147 0.425 . . . . 1.08 112.147 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 97.0 mt-30 -66.18 -48.16 71.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 120.251 -0.58 . . . . 3.27 109.969 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.58 -49.38 8.66 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.535 -0.84 . . . . 1.14 112.014 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.524 HG21 ' OE1' ' A' ' 19' ' ' GLU . 66.1 t -62.28 -57.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.808 0.299 . . . . 1.46 111.808 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.577 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -53.32 -43.35 67.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.091 -0.244 . . . . 2.13 111.224 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.54 -50.38 73.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.637 -0.256 . . . . 2.24 110.982 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 m -62.47 -48.41 79.73 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.908 -0.405 . . . . 1.02 109.908 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.84 -43.09 60.47 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.478 -0.868 . . . . 0.79 111.331 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -61.66 -37.93 85.88 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 110.065 -0.346 . . . . 3.25 110.065 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.046 -0.524 . . . . 3.71 110.25 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.88 -42.25 79.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.122 0.487 . . . . 1.52 109.792 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 m -60.97 -48.55 81.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.58 -0.736 . . . . 1.76 111.121 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -51.49 -41.23 60.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.882 0.372 . . . . 2.34 110.511 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.574 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 3.2 m-20 -76.88 -32.14 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.862 -0.608 . . . . 2.89 110.11 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.3 t30 77.29 59.6 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.697 -0.683 . . . . 4.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 133.12 44.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 4.87 110.359 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.41 96.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 4.56 110.401 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.92 -16.41 4.23 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.87 112.095 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 84' ' ' ILE . 21.0 pttm -42.61 -41.1 2.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.622 0.248 . . . . 4.4 111.502 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -52.43 -53.41 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.379 . . . . 3.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -45.15 85.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.141 0.496 . . . . 2.94 109.806 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 81' ' ' LYS . 52.3 mt -53.21 -45.95 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 2.47 110.358 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -51.56 -49.23 62.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 3.13 109.919 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 6.3 tp60 -55.62 -48.84 74.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.326 -0.397 . . . . 3.09 110.113 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -54.68 -51.06 66.68 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.073 -0.512 . . . . 4.43 110.417 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.16 -35.49 75.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 1.9 109.928 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 86' ' ' GLN . . . -57.35 -30.01 64.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.001 -0.545 . . . . 0.97 110.95 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.68 -48.92 62.7 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.314 -0.403 . . . . 2.72 109.947 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 3.7 t80 -53.78 -46.89 71.16 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.119 -0.697 . . . . 1.19 109.119 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.31 -54.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.739 -0.664 . . . . 1.37 110.421 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.956 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.98 -48.53 43.24 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 109.573 -0.528 . . . . 1.71 109.573 179.068 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.956 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -52.02 -59.57 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.522 -0.547 . . . . 2.46 109.522 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.499 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 22.3 t90 -45.69 -46.61 14.91 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.864 -0.607 . . . . 2.64 109.853 178.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.11 -51.35 32.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.411 -0.813 . . . . 2.86 110.676 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.707 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -54.21 -48.75 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 3.03 110.552 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.494 HD11 HG23 ' A' ' 23' ' ' ILE . 7.9 mt -55.92 -45.51 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 2.38 110.277 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -56.68 -51.81 67.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.001 -0.545 . . . . 4.07 109.782 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.456 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.72 -52.89 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 3.33 110.136 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mp -51.09 -48.16 61.73 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.264 -0.425 . . . . 2.59 110.611 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.16 66.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.24 -0.436 . . . . 2.24 110.883 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.98 98.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 2.56 110.774 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.65 82.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 2.74 110.926 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -59.7 -47.74 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 4.42 110.986 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.91 92.68 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.713 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.768 0.318 . . . . 4.07 111.176 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 t60 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.494 0.188 . . . . 4.11 111.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -60.5 -49.5 77.29 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.907 -0.405 . . . . 3.73 109.907 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 73' ' ' LEU . 25.3 t80 -50.94 -32.92 22.35 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 109.396 -0.594 . . . . 1.14 109.396 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.92 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -52.76 -46.84 67.69 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.504 -0.925 . . . . 2.77 108.504 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.718 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 3.5 tpt180 -59.87 -48.43 81.72 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.196 -1.039 . . . . 4.35 108.196 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -51.41 -42.26 61.34 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.805 -0.634 . . . . 2.1 109.928 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.8 -56.22 19.46 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.357 -0.609 . . . . 2.23 109.357 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.06 -47.21 71.89 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.664 -0.865 . . . . 2.46 108.664 177.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 99.7 m-20 -51.01 -41.25 59.66 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.794 -0.447 . . . . 2.49 109.794 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 1.206 ' OE2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.0 -66.97 0.31 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.491 0.662 . . . . 3.07 109.367 178.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -49.68 -35.12 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.714 -1.13 . . . . 2.5 110.182 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 1.2 m -59.61 -35.52 74.5 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.767 -0.651 . . . . 1.59 109.76 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.645 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 55.8 t-105 -53.77 -59.87 4.05 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.174 -0.676 . . . . 2.24 109.174 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.0 mt -39.12 -53.43 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-N 116.241 -0.436 . . . . 1.92 110.473 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -55.02 -50.65 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.438 . . . . 3.58 110.836 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.43 -42.29 86.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 3.45 111.308 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.386 ' CE ' ' OE2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.37 -44.94 74.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.855 -0.424 . . . . 2.77 109.855 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -41.31 48.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.215 -0.661 . . . . 3.62 109.215 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.97 -47.66 74.27 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.864 -0.607 . . . . 3.19 109.849 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.577 HD22 ' CD ' ' A' ' 55' ' ' GLU . 2.7 tp -55.46 -47.48 76.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.845 -0.616 . . . . 3.08 109.842 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.15 -36.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 2.48 110.266 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -34.72 74.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.895 -0.593 . . . . 3.01 110.338 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -80.28 -38.63 30.43 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.549 . . . . 3.19 109.896 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' CG ' ' HB3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.391 -0.822 . . . . 4.37 112.026 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 120.946 0.403 . . . . 4.24 109.985 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -66.08 -44.36 84.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 3.83 110.48 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.07 -53.96 48.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.909 -0.404 . . . . 4.27 109.909 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.73 75.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 5.49 110.148 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.563 . . . . 4.3 110.084 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.17 -53.85 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 4.17 109.916 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.29 -47.71 62.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.081 -0.508 . . . . 3.6 110.237 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -45.33 71.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.948 -0.569 . . . . 3.17 110.428 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -59.61 -41.8 91.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.13 -0.487 . . . . 4.13 110.002 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.23 -56.51 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.568 -0.742 . . . . 2.9 110.477 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -45.75 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 3.17 110.359 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.57 81.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 1.35 110.188 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 1.386 ' OE2' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.56 -55.76 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 2.6 110.88 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.15 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.14 -38.3 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 1.37 110.941 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.39 -25.66 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 1.43 111.796 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.645 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 26.5 m80 -72.99 -41.01 64.77 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.503 -0.317 . . . . 2.61 111.217 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -53.99 -61.34 5.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 3.01 111.524 -178.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 44.5 Cg_exo -57.33 -51.32 8.78 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.205 1.937 . . . . 1.6 112.796 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.14 64.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.092 -0.503 . . . . 1.31 112.033 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.5 -57.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.936 -0.574 . . . . 1.08 111.202 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -47.2 -48.93 23.76 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.271 -0.422 . . . . 3.27 110.7 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.61 -55.22 7.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.607 -0.806 . . . . 1.14 112.277 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' HG3' ' A' ' 19' ' ' GLU . 92.0 t -59.0 -50.11 80.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.021 0.438 . . . . 1.46 110.787 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.81 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 2.13 110.848 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -51.97 -49.22 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.24 110.639 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 m -57.96 -51.82 68.05 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.791 0.329 . . . . 1.02 110.503 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.08 -38.04 83.36 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.356 -0.926 . . . . 0.79 111.809 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -63.67 -35.35 80.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.69 -0.485 . . . . 3.25 109.69 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -47.35 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.296 -0.411 . . . . 3.71 109.996 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.558 HD11 ' CD2' ' A' ' 12' ' ' PHE . 1.8 mt -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 1.52 109.474 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.0 m -60.93 -47.97 83.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.215 -0.902 . . . . 1.76 112.032 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -47.48 -59.72 3.04 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.199 -0.455 . . . . 2.34 112.204 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -36.38 61.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.35 . . . . 2.89 111.738 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -54.91 -53.69 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 4.42 111.451 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m 73.86 -65.23 0.36 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.226 -0.443 . . . . 4.87 110.536 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.31 100.05 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 4.56 110.375 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.37 -25.44 2.48 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 111.433 -0.667 . . . . 2.87 111.433 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -46.17 -38.42 8.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.664 0.268 . . . . 4.4 110.97 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.6 -50.89 52.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 3.0 110.722 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -49.42 72.7 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.336 -0.393 . . . . 2.94 110.029 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.68 -49.49 56.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 2.47 110.328 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.31 -49.07 64.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 3.13 110.205 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -49.22 76.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 3.09 110.046 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -51.4 67.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 4.43 110.937 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.538 HD21 HG12 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.93 -38.27 78.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.41 . . . . 1.9 110.107 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.3 69.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.856 -0.611 . . . . 0.97 110.843 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -66.96 -43.34 83.34 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.143 -0.48 . . . . 2.72 110.097 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 19' ' ' GLU . 80.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.571 -0.529 . . . . 1.19 109.571 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 88' ' ' LEU . 18.2 t -53.7 -52.68 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 1.37 109.84 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.7 OUTLIER -46.3 -55.29 7.46 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.164 -0.471 . . . . 1.71 110.337 178.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.629 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 43.7 m80 -54.87 -56.75 16.08 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.815 -0.439 . . . . 2.46 109.815 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.616 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 25.7 t90 -46.05 -42.94 14.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.819 -0.628 . . . . 2.64 110.282 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -59.81 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 2.86 110.391 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.942 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -49.84 -46.08 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 3.03 110.457 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -59.21 -47.11 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.312 -0.404 . . . . 2.38 110.509 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -47.36 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 4.07 110.059 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.65 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 3.33 110.378 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.942 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 24.0 mt -53.34 -46.0 69.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.556 -0.293 . . . . 2.59 110.662 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.46 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 2.24 110.881 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.88 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.595 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.83 75.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.903 -0.589 . . . . 2.74 110.859 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.414 ' HB3' ' CG ' ' A' ' 33' ' ' GLU . 9.6 mmm180 -57.97 -43.35 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 4.42 110.094 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.74 -27.78 20.96 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.844 -0.616 . . . . 3.27 113.144 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 112.032 0.382 . . . . 4.07 112.032 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 4.11 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.27 -42.83 92.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 3.73 110.703 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.732 ' CD2' HD11 ' A' ' 73' ' ' LEU . 41.1 t80 -54.67 -44.84 73.69 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.582 -0.447 . . . . 1.14 110.814 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -49.19 -51.92 29.86 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.569 -0.453 . . . . 2.77 110.003 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -52.76 64.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.35 110.248 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.3 -44.78 54.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.855 0.36 . . . . 2.1 110.721 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.4 tpt -54.93 -58.71 6.51 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.139 -0.482 . . . . 2.23 110.798 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -46.22 81.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.808 -0.357 . . . . 2.46 110.374 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -42.33 71.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.699 0.285 . . . . 2.49 110.396 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 14.7 tt0 -64.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.539 . . . . 3.07 109.597 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -46.67 -37.36 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.733 -0.667 . . . . 2.5 109.654 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -51.33 69.76 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.811 -0.632 . . . . 1.59 109.762 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 18.0 t90 -49.58 -45.63 48.06 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 116.272 -0.422 . . . . 2.24 109.963 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.563 HG22 ' N ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -46.48 -56.13 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-O 120.902 0.382 . . . . 1.92 110.528 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.563 ' N ' HG22 ' A' ' 23' ' ' ILE . 2.9 mttp -58.18 -42.35 85.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.32 -0.4 . . . . 3.58 110.825 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.8 -41.7 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 3.45 111.157 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.78 -52.1 61.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.003 -0.279 . . . . 2.77 110.282 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.91 -43.53 63.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.92 0.39 . . . . 3.62 110.782 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.63 -34.24 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 3.19 110.421 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.45 -36.5 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.862 -0.608 . . . . 3.08 110.771 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 26' ' ' LYS . 2.7 t -59.57 -50.15 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 120.966 0.413 . . . . 2.48 110.886 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.0 m -51.25 -36.48 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 3.01 111.347 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.01 -53.41 6.44 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.384 0.513 . . . . 3.19 112.384 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 9.4 pt-20 . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 4.37 111.514 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.602 0.239 . . . . 4.24 110.757 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -59.15 -46.23 88.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.526 -0.306 . . . . 3.83 110.48 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD23 ' NZ ' ' A' ' 48' ' ' LYS . 23.5 mt -61.51 -50.53 72.35 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 4.27 110.355 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -55.86 -35.15 66.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.207 -0.452 . . . . 5.49 110.047 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -46.14 91.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.015 -0.539 . . . . 4.3 109.797 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' NZ ' HD23 ' A' ' 45' ' ' LEU . 8.5 mtmt -57.4 -51.65 68.56 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.171 -0.677 . . . . 4.17 109.171 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.595 ' CE1' ' HE ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -52.31 -48.11 65.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.546 -0.752 . . . . 3.6 110.325 179.26 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -46.56 31.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.254 -0.43 . . . . 3.17 110.555 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -40.14 96.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.075 0.464 . . . . 4.13 109.98 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.444 HD22 HH21 ' A' ' 105' ' ' ARG . 4.9 tp -59.38 -49.15 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.654 . . . . 2.9 110.059 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.35 -50.86 49.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.33 -0.396 . . . . 3.17 110.273 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.39 -51.69 61.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.332 -0.394 . . . . 1.35 109.982 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -51.09 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.493 -0.558 . . . . 2.6 109.493 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -39.85 -45.63 1.84 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.594 -0.73 . . . . 2.67 111.305 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.77 88.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.913 0.387 . . . . 1.37 111.049 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.25 -20.77 11.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.43 112.168 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.627 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 17.8 m80 -62.86 -31.04 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.533 0.197 . . . . 2.61 111.533 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.596 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 3.3 mp0 -64.71 -62.45 4.91 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.429 -0.508 . . . . 3.01 110.91 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -56.23 -41.05 80.61 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 121.433 1.422 . . . . 1.6 112.486 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.69 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.168 0.803 . . . . 1.31 113.168 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 59' ' ' HIS . 90.5 mt -76.66 -39.55 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.097 0.406 . . . . 1.08 112.097 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -56.0 -46.81 78.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.362 -0.236 . . . . 3.27 110.362 179.312 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.05 15.88 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 120.358 -0.925 . . . . 1.14 111.214 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.76 -52.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 1.46 109.861 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 tp -51.78 -52.56 48.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 2.13 110.307 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -48.98 67.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 2.24 110.489 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.0 m -56.96 -47.45 80.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.05 0.453 . . . . 1.02 109.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' HA2' ' HG ' ' A' ' 73' ' ' LEU . . . -56.6 -39.38 85.32 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.567 -0.825 . . . . 0.79 111.949 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.661 ' O ' ' OD2' ' A' ' 75' ' ' ASP . 11.0 mtpt -57.05 -40.59 77.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.587 -0.523 . . . . 3.25 109.587 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.695 ' HA ' ' OD2' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -56.47 -44.94 81.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.839 -0.618 . . . . 3.71 110.344 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.732 HD11 ' CD2' ' A' ' 12' ' ' PHE . 10.7 mt -51.39 -51.56 53.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 1.52 109.987 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 m -58.46 -40.78 83.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 1.76 110.405 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.695 ' OD2' ' HA ' ' A' ' 72' ' ' LYS . 19.4 m-20 -57.46 -37.01 72.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.797 -0.638 . . . . 2.34 111.273 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.86 26.21 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.478 -0.328 . . . . 2.89 111.394 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -145.88 121.93 10.74 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.904 0.383 . . . . 4.42 111.097 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 79' ' ' ILE . 5.3 t -67.99 -52.59 33.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 4.87 110.526 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.462 ' N ' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -67.78 101.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.968 -0.56 . . . . 4.56 110.498 179.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.04 -38.84 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.008 -0.615 . . . . 2.87 111.743 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -48.36 -41.4 28.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.73 0.3 . . . . 4.4 110.665 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -51.2 -55.62 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 3.0 110.877 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.31 78.0 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.182 0.515 . . . . 2.94 109.943 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.584 HD13 HD12 ' A' ' 73' ' ' LEU . 77.5 mt -52.27 -49.11 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 2.47 110.379 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.2 -47.06 69.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 3.13 110.537 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.05 -49.18 74.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 3.09 110.161 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -57.7 -51.42 69.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.058 -0.519 . . . . 4.43 110.498 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 tp -54.32 -41.45 69.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.521 . . . . 1.9 110.088 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.609 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -56.21 -36.81 68.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.97 110.45 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.32 -45.19 88.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 2.72 110.305 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 25.5 t80 -59.79 -46.71 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 1.19 110.526 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -58.37 -44.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.324 -0.398 . . . . 1.37 110.546 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 1.026 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.94 -51.56 56.16 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.589 -0.523 . . . . 1.71 109.589 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 1.026 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 23.0 m170 -50.52 -57.9 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 2.46 110.253 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.426 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 10.4 t90 -50.51 -44.83 56.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 2.64 110.833 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 5.2 mtmm -50.5 -49.86 54.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.53 -0.305 . . . . 2.86 110.495 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.38 -49.45 64.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 3.03 110.076 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.53 80.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.38 110.602 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.38 -46.89 79.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.849 -0.426 . . . . 4.07 109.849 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -55.77 24.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.978 -0.556 . . . . 3.33 109.825 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.7 tp -49.22 -50.26 39.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.562 . . . . 2.59 110.097 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.87 -47.76 67.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.072 -0.513 . . . . 2.24 110.337 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.62 67.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.965 -0.561 . . . . 2.56 109.978 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.85 85.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 2.74 110.247 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.595 ' HE ' ' CE1' ' A' ' 49' ' ' HIS . 3.8 tmm_? -50.33 -40.13 48.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.944 -0.571 . . . . 4.42 110.032 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.83 -34.67 83.31 Favored Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.81 -0.632 . . . . 3.27 112.224 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 4.07 110.74 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.1 m80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.833 0.349 . . . . 4.11 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.52 -50.75 72.62 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.743 -0.836 . . . . 3.73 108.743 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -48.31 23.0 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.127 -0.694 . . . . 1.14 109.127 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -50.89 -51.1 55.03 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.38 -0.6 . . . . 2.77 109.38 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -57.71 -52.16 66.57 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.676 -0.49 . . . . 4.35 109.676 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.58 -49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.781 -0.451 . . . . 2.1 109.781 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 1.459 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 4.0 ttp -56.62 -52.72 63.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.071 0.462 . . . . 2.23 110.18 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.48 -44.71 62.54 Favored 'General case' 0 C--N 1.335 -0.062 0 N-CA-C 109.608 -0.515 . . . . 2.46 109.608 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -49.47 64.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 2.49 109.408 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 1.459 ' OE1' ' CA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -59.7 -52.08 67.02 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.103 -0.702 . . . . 3.07 109.103 178.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.849 ' OE1' ' HA ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -42.53 -48.11 5.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.839 -0.619 . . . . 2.5 109.525 178.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -61.83 -49.54 75.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.437 -0.579 . . . . 1.59 109.437 178.468 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.655 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 2.4 t90 -51.05 -38.26 50.43 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.944 -0.571 . . . . 2.24 109.987 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 23' ' ' ILE . 1.9 mm -58.9 -57.27 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 1.92 109.983 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 3.7 mtmm -52.86 -42.88 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.297 0.57 . . . . 3.58 109.918 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.37 -35.73 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.24 -0.891 . . . . 3.45 110.803 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 10.6 tptp -68.26 -42.06 80.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.006 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -56.24 -45.12 80.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.084 -0.507 . . . . 3.62 110.399 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.2 -43.88 92.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.209 0.528 . . . . 3.19 110.503 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.61 -46.9 87.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 3.08 110.742 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG22 ' HZ3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -56.3 -44.11 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.708 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 m -56.32 -34.0 66.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 3.01 111.216 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -76.55 -51.43 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 3.19 111.195 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 4.37 111.371 -179.759 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.744 0.307 . . . . 4.24 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -70.29 -39.32 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 3.83 110.269 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.56 -51.25 66.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 4.27 109.699 179.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -53.93 -47.54 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 5.49 110.807 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -62.9 -46.69 86.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 4.3 110.262 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HZ3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.3 -45.48 84.12 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.714 -0.476 . . . . 4.17 109.714 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' HH22 ' A' ' 105' ' ' ARG . 7.5 t-80 -48.4 -54.11 15.25 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.427 . . . . 3.6 110.134 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -46.37 64.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.908 -0.587 . . . . 3.17 109.964 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -69.31 -25.8 64.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 4.13 110.329 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -46.79 85.72 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.101 -0.499 . . . . 2.9 109.929 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.48 -47.7 69.55 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.505 -0.554 . . . . 3.17 109.505 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.28 71.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.88 -0.6 . . . . 1.35 109.953 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.04 -56.72 12.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.803 -0.635 . . . . 2.6 110.442 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.753 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 14.5 mt -55.56 -36.84 67.26 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.285 -0.416 . . . . 2.67 111.216 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -56.92 -36.65 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 1.37 111.406 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.87 -33.59 30.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.309 . . . . 1.43 111.816 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.756 ' O ' HD12 ' A' ' 63' ' ' ILE . 1.5 m80 -73.36 -23.25 60.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 2.61 111.509 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.753 ' OE1' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -68.21 -61.57 3.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.57 -0.286 . . . . 3.01 110.269 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 38.4 Cg_exo -58.67 -34.36 98.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.305 2.003 . . . . 1.6 111.748 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.83 10.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 1.31 111.258 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.0 mt -66.59 -46.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.08 111.157 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.13 -52.77 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 3.27 110.465 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.95 -46.91 32.41 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.745 -0.741 . . . . 1.14 111.69 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.176 HG21 ' OE2' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -61.96 -47.13 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.986 -0.376 . . . . 1.46 109.986 179.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 88' ' ' LEU . 7.5 tt -51.8 -52.88 45.85 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.849 -0.426 . . . . 2.13 109.849 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.03 -49.27 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 2.24 110.1 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -51.35 -49.04 62.22 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.372 -0.376 . . . . 1.02 110.338 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 73' ' ' LEU . . . -51.72 -50.48 43.1 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.249 -0.977 . . . . 0.79 111.28 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -57.06 -34.85 68.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.14 0.495 . . . . 3.25 109.687 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -50.64 73.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.649 -0.705 . . . . 3.71 110.439 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' HA2' ' A' ' 70' ' ' GLY . 15.8 mt -49.84 -41.09 44.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.11 0.481 . . . . 1.52 110.405 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -58.55 -48.83 79.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.757 -0.656 . . . . 1.76 111.675 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -38.34 90.75 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.066 -0.254 . . . . 2.34 111.178 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.09 -47.37 86.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.094 0.474 . . . . 2.89 110.324 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -158.11 87.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.67 -0.695 . . . . 4.42 110.078 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.22 136.75 48.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 4.87 111.305 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 mt -141.03 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.763 -0.653 . . . . 4.56 109.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.4 56.85 0.6 Allowed Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.7 -0.682 . . . . 2.87 111.913 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.3 -46.07 3.15 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.843 0.312 . . . . 4.4 111.843 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.9 pm0 -59.08 -49.35 78.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 3.0 110.598 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -53.22 -48.67 67.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.969 0.414 . . . . 2.94 110.246 179.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.23 -52.86 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 2.47 110.132 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -41.64 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.834 -0.621 . . . . 3.13 110.702 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -61.15 -50.33 73.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 3.09 110.72 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.4 ' NH1' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.79 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 4.43 111.053 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -66.72 -35.8 80.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.976 0.417 . . . . 1.9 110.449 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.507 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -56.37 -39.89 73.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.97 110.434 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -58.4 -48.64 79.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.106 0.479 . . . . 2.72 110.295 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.849 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 2.7 t80 -52.26 -51.65 57.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.619 . . . . 1.19 111.166 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -60.3 -44.84 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.677 -0.409 . . . . 1.37 110.449 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.818 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.3 -50.88 61.31 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.616 0.246 . . . . 1.71 110.46 179.034 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.818 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.5 t-80 -59.06 -50.74 72.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.037 0.446 . . . . 2.46 110.053 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -52.87 -44.04 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.712 -0.676 . . . . 2.64 110.109 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -56.66 18.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 2.86 109.579 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -47.88 -46.84 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 3.03 110.081 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -55.79 29.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.945 -0.57 . . . . 2.38 110.442 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -45.66 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 4.07 109.824 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.95 -53.41 58.31 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.854 -0.612 . . . . 3.33 110.08 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.13 -43.67 52.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.968 -0.56 . . . . 2.59 110.248 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.29 -55.02 32.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 2.24 110.462 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.26 -49.58 52.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 2.56 110.686 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.89 96.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.932 -0.577 . . . . 2.74 110.928 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NE ' ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -58.07 -36.98 73.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 4.42 110.292 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.437 ' N ' ' NE ' ' A' ' 105' ' ' ARG . . . -54.86 -46.26 77.06 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.899 -0.667 . . . . 3.27 112.21 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.817 0.342 . . . . 4.07 110.693 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.649 0.261 . . . . 4.11 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.96 -51.61 68.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.834 0.349 . . . . 3.73 110.17 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.685 ' HB2' HD21 ' A' ' 73' ' ' LEU . 52.5 t80 -50.55 -35.39 29.51 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.576 -0.45 . . . . 1.14 110.095 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 1.17 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -49.97 -46.78 52.77 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.859 -0.793 . . . . 2.77 108.859 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 1.069 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -61.66 -50.66 71.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.706 -0.679 . . . . 4.35 109.256 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.432 ' HB3' HG13 ' A' ' 66' ' ' VAL . 1.1 m-20 -49.82 -51.18 41.81 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.945 0.402 . . . . 2.1 110.382 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.511 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -51.25 -56.43 12.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.185 0.516 . . . . 2.23 110.089 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 1.17 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.61 -49.83 69.52 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.069 -0.514 . . . . 2.46 109.857 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.91 -44.26 50.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 2.49 110.464 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.669 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -49.27 -61.95 1.81 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.846 -0.616 . . . . 3.07 111.26 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 6.2 tp10 -64.8 -38.88 92.46 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.536 -0.542 . . . . 2.5 109.536 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -28.13 63.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.599 -0.728 . . . . 1.59 110.102 179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 18.6 t-105 -57.28 -58.53 7.83 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 120.167 -0.613 . . . . 2.24 109.58 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -44.44 -56.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.92 110.538 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -52.57 62.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 3.58 112.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -27.9 68.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.342 -0.39 . . . . 3.45 111.911 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -42.96 39.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.604 -0.517 . . . . 2.77 109.604 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -55.18 -40.91 71.23 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.674 -0.491 . . . . 3.62 109.674 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.67 88.91 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.966 -0.561 . . . . 3.19 110.072 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.44 -46.12 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.948 -0.569 . . . . 3.08 110.067 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -60.22 -43.31 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.543 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -53.65 -36.1 61.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.198 -0.456 . . . . 3.01 110.304 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -77.88 -59.9 2.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.831 -0.622 . . . . 3.19 110.3 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG3' HH21 ' A' ' 51' ' ' ARG . 3.0 tp10 . . . . . 0 N--CA 1.463 0.18 0 CA-C-N 115.868 -0.605 . . . . 4.37 111.359 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.732 0.301 . . . . 4.24 110.476 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -59.86 -47.26 86.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.207 -0.451 . . . . 3.83 110.616 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.45 -48.82 80.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.29 -0.414 . . . . 4.27 109.923 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -52.04 -40.36 60.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 5.49 110.029 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -42.02 92.67 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.905 -0.589 . . . . 4.3 110.012 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HZ2' ' HG3' ' A' ' 48' ' ' LYS . 8.7 tttp -57.04 -46.45 82.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.121 -0.491 . . . . 4.17 110.088 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -54.09 -55.79 24.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.118 -0.492 . . . . 3.6 110.607 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -58.62 -36.13 73.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 3.17 110.504 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.412 HH21 ' HG3' ' A' ' 33' ' ' GLU . 3.0 ttm-85 -69.98 -31.35 69.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.953 -0.567 . . . . 4.13 110.153 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.04 -50.42 73.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 2.9 110.001 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.24 -54.59 24.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 3.17 109.933 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.06 72.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 1.35 110.403 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.898 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.82 -50.38 63.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.831 -0.622 . . . . 2.6 110.541 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 56' ' ' LEU . 8.6 tt -53.54 -41.5 66.48 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.013 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.21 94.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 1.37 110.954 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.22 -20.56 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 1.43 111.412 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 m80 -66.58 -41.6 88.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 2.61 111.836 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -62.91 -60.46 9.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 121.034 -0.266 . . . . 3.01 111.436 -178.614 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.5 Cg_exo -53.14 -42.92 61.32 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.25 1.967 . . . . 1.6 112.434 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 -60.69 3.1 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 1.31 111.854 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.584 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 3.2 mp -63.74 -41.95 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.08 111.158 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -55.79 -45.18 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.573 -0.285 . . . . 3.27 110.459 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.15 -47.78 15.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.671 . . . . 1.14 112.114 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 15' ' ' ASP . 48.1 t -63.07 -51.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.889 0.376 . . . . 1.46 110.183 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.709 HD23 HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -49.37 -55.05 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 2.13 110.251 179.216 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.622 ' N ' HD13 ' A' ' 67' ' ' LEU . 30.7 t70 -50.68 -54.33 23.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.426 . . . . 2.24 110.578 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.4 m -52.3 -47.55 65.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.898 0.38 . . . . 1.02 110.257 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.91 -45.56 49.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.356 -0.926 . . . . 0.79 111.56 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -61.72 -37.84 85.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.05 -0.352 . . . . 3.25 110.05 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 5.2 mmtm -53.1 -46.14 68.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.208 -0.451 . . . . 3.71 110.737 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 12' ' ' PHE . 3.6 mt -50.78 -50.16 56.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.192 0.52 . . . . 1.52 110.066 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 1.76 111.448 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.32 -23.36 62.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 2.34 112.083 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.597 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 23.3 m-20 -82.58 -53.12 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.572 0.212 . . . . 2.89 111.572 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.7 p30 179.82 -32.23 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.616 0.246 . . . . 4.42 110.919 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.413 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 8.9 m -75.57 68.63 2.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.349 -0.387 . . . . 4.87 110.545 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mt -63.03 91.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.24 -0.436 . . . . 4.56 111.178 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.0 30.92 2.42 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.899 -0.591 . . . . 2.87 111.913 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -40.73 -59.41 1.4 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.217 0.451 . . . . 4.4 112.217 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -47.36 -52.35 16.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 3.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.37 -49.91 66.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.36 -0.382 . . . . 2.94 110.728 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.13 -44.86 88.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.992 0.425 . . . . 2.47 110.231 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.06 -46.78 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 3.13 110.789 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.27 -54.69 36.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 3.09 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 4.43 111.043 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 92' ' ' VAL . 11.6 tp -64.69 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.412 -0.358 . . . . 1.9 110.773 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.41 72.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.515 -0.311 . . . . 0.97 110.542 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.32 -48.42 64.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 2.72 109.949 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.669 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -57.88 -49.96 74.94 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.845 -0.616 . . . . 1.19 110.031 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 88' ' ' LEU . 4.6 t -60.19 -45.35 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.37 110.009 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -50.75 -51.48 49.77 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.21 -0.45 . . . . 1.71 110.55 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.2 -47.19 77.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.513 0.673 . . . . 2.46 109.469 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.544 ' CZ2' ' HB3' ' A' ' 59' ' ' HIS . 5.4 t-105 -54.49 -36.76 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.926 -1.034 . . . . 2.64 112.154 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -64.9 -47.69 76.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.745 -0.382 . . . . 2.86 110.907 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 2.0 pt-20 -61.9 -36.29 80.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.801 -0.444 . . . . 3.03 109.801 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 3.6 mp -61.55 -56.32 21.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 2.38 110.352 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -53.0 -46.94 68.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.8 -0.444 . . . . 4.07 109.8 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.15 -55.83 26.72 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.18 -0.464 . . . . 3.33 110.362 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.98 -46.58 61.4 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.413 -0.358 . . . . 2.59 110.482 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.11 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 2.24 110.619 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -46.72 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 2.56 110.829 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.7 86.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 2.74 110.646 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -45.0 81.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 4.42 110.466 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.41 -31.72 74.46 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.994 -0.622 . . . . 3.27 112.535 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 4.07 110.552 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.998 0.428 . . . . 4.11 110.213 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -50.1 -48.84 53.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 3.73 110.846 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 21.0 t80 -52.43 -49.84 63.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 120.305 -0.558 . . . . 1.14 109.843 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.88 -49.0 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 2.77 109.731 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -61.67 -50.7 71.45 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.661 -0.699 . . . . 4.35 110.164 179.083 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.93 -44.34 60.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 2.1 110.147 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -60.03 3.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.156 0.503 . . . . 2.23 110.515 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.769 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.827 -0.624 . . . . 2.46 110.162 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 4.2 m-20 -58.48 -42.25 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 2.49 110.534 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HG2' ' CE2' ' A' ' 91' ' ' PHE . 1.6 tp10 -63.17 -55.55 24.15 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.242 -0.651 . . . . 3.07 109.242 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.21 -47.07 17.93 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.037 -0.529 . . . . 2.5 109.89 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 m -59.81 -47.91 83.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.325 -0.398 . . . . 1.59 110.234 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.64 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 7.2 t90 -55.47 -38.86 69.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.287 -0.415 . . . . 2.24 110.651 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG12 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm -63.68 -54.73 28.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 110.026 -0.361 . . . . 1.92 110.026 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -43.19 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.2 0.524 . . . . 3.58 109.723 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.08 -45.14 86.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.558 -0.746 . . . . 3.45 110.124 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.673 ' HG3' ' NE2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -59.78 -46.44 89.18 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.96 -0.564 . . . . 2.77 109.816 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.457 ' NZ ' HD22 ' A' ' 101' ' ' LEU . 1.1 tmtm? -54.83 -46.18 74.55 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 3.62 109.837 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.8 -44.09 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 3.19 109.781 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -46.07 89.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 3.08 110.348 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -42.75 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.156 0.503 . . . . 2.48 110.062 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.56 -27.9 63.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.483 -0.78 . . . . 3.01 110.685 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.3 m -74.43 -40.43 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 3.19 110.915 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 4.37 110.722 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.866 0.365 . . . . 4.24 110.625 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -38.17 81.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 3.83 110.147 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.76 -53.55 39.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.719 -0.673 . . . . 4.27 109.5 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -50.36 -43.82 54.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.79 -0.641 . . . . 5.49 110.733 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -63.34 -50.84 68.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 4.3 110.437 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -55.3 -42.7 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.759 -0.46 . . . . 4.17 109.759 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -48.12 -55.22 10.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.325 -0.398 . . . . 3.6 110.133 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -43.78 68.03 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.173 -0.467 . . . . 3.17 110.072 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -33.44 75.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.972 -0.558 . . . . 4.13 110.23 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.901 HD21 ' HB1' ' A' ' 102' ' ' ALA . 16.9 tp -62.5 -52.79 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.749 -0.66 . . . . 2.9 109.849 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.52 -47.06 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 3.17 110.227 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.58 54.72 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.181 -0.463 . . . . 1.35 110.557 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -55.59 -49.07 73.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 2.6 110.052 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -48.59 -45.33 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.443 -0.799 . . . . 2.67 110.955 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -67.27 -42.43 83.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 1.37 111.436 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -26.96 68.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.95 0.352 . . . . 1.43 111.95 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.673 ' NE2' ' HG3' ' A' ' 26' ' ' LYS . 1.7 m80 -71.48 -37.55 71.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.586 -0.279 . . . . 2.61 111.331 -179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -49.58 -62.52 2.42 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 120.9 -0.32 . . . . 3.01 110.457 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 72.7 Cg_exo -49.8 -46.05 29.26 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.67 2.246 . . . . 1.6 112.599 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.58 72.91 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.115 -0.493 . . . . 1.31 111.318 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 59' ' ' HIS . 4.8 mt -80.79 -32.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 1.08 111.473 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.788 ' O ' ' OD2' ' A' ' 68' ' ' ASP . 2.9 mm100 -53.36 -51.87 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 3.27 109.605 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.91 -52.17 22.21 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.518 -0.848 . . . . 1.14 111.375 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.18 -55.9 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 1.46 110.488 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.3 -51.85 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 2.13 111.225 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.788 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 10.7 m-20 -56.61 -46.44 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 2.24 110.934 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 m -62.28 -49.4 75.82 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.81 0.338 . . . . 1.02 110.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.41 -42.75 75.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.72 -0.752 . . . . 0.79 112.0 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -60.52 -42.38 96.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.843 -0.429 . . . . 3.25 109.843 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -48.81 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.794 -0.639 . . . . 3.71 110.932 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 12' ' ' PHE . 4.9 mt -58.48 -41.33 85.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 1.52 110.842 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 m -65.6 -45.89 81.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.059 -0.518 . . . . 1.76 111.73 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -47.68 -43.36 26.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 2.34 111.856 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -88.7 -42.51 11.93 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.913 0.338 . . . . 2.89 111.913 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -75.3 133.3 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.103 0.478 . . . . 4.42 111.859 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -91.27 -74.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.793 -0.64 . . . . 4.87 109.548 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.46 102.61 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.772 -0.649 . . . . 4.56 110.273 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.84 -27.51 3.33 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.97 -0.633 . . . . 2.87 112.004 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -46.17 -46.96 17.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.897 0.379 . . . . 4.4 110.826 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.32 -53.16 59.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 3.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -53.08 -46.72 68.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.35 -0.386 . . . . 2.94 110.186 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.9 mm -55.72 -53.56 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 2.47 110.676 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -41.65 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 3.13 111.035 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -62.42 -47.04 85.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 3.09 110.577 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -61.19 -48.98 79.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.929 0.395 . . . . 4.43 110.211 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 92' ' ' VAL . 57.7 tp -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 1.9 110.097 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.4 -33.44 73.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.97 110.934 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -69.77 -38.82 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 2.72 110.068 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 11.3 t80 -59.43 -49.84 76.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.737 -0.468 . . . . 1.19 109.737 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 88' ' ' LEU . 1.5 t -49.28 -48.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 1.37 110.342 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.21 -56.17 18.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.659 -0.497 . . . . 1.71 109.659 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -50.14 -56.39 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 2.46 110.496 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.461 ' CZ3' HD22 ' A' ' 98' ' ' LEU . 11.1 t-105 -51.82 -46.79 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 2.64 110.368 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -50.29 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 2.86 109.656 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 1.227 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -51.13 -49.73 60.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.835 -0.62 . . . . 3.03 110.253 179.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.461 HD22 ' CZ3' ' A' ' 95' ' ' TRP . 9.5 tt -55.84 -49.36 73.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 2.38 110.217 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -51.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 4.07 110.414 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -54.39 -54.16 44.29 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.822 0.344 . . . . 3.33 110.567 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.227 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 1.3 mt -52.77 -44.01 66.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.211 -0.45 . . . . 2.59 110.826 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.901 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -56.01 -49.78 72.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 2.24 110.47 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 2.56 110.376 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.47 -51.12 63.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.917 -0.583 . . . . 2.74 110.334 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -46.17 -47.91 17.6 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.012 -0.54 . . . . 4.42 110.253 179.441 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -53.69 -49.68 56.93 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.772 -0.728 . . . . 3.27 111.62 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.913 0.387 . . . . 4.07 110.182 179.142 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.614 0.245 . . . . 4.11 111.311 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -65.43 -47.84 74.81 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.749 0.309 . . . . 3.73 110.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.34 -39.94 67.58 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.24 -0.584 . . . . 1.14 109.718 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.78 -52.94 16.88 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.362 -0.607 . . . . 2.77 109.362 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.86 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 5.3 ttp85 -59.53 -53.0 63.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.761 -0.654 . . . . 4.35 109.413 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 1.221 ' CA ' ' OD2' ' A' ' 18' ' ' ASP . 5.3 m-20 -47.27 -44.26 22.91 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.001 0.429 . . . . 2.1 110.463 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.645 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.43 -59.55 4.43 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.211 -0.45 . . . . 2.23 109.86 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.03 -45.66 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.568 -0.531 . . . . 2.46 109.568 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.221 ' OD2' ' CA ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -46.53 -42.36 15.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.914 -0.584 . . . . 2.49 110.149 179.089 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.698 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -52.79 -68.81 0.14 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.448 0.642 . . . . 3.07 110.728 179.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.72 -37.0 49.11 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.22 -0.9 . . . . 2.5 109.573 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.9 -34.65 77.88 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.577 -0.738 . . . . 1.59 109.724 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.631 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 24.1 t-105 -54.71 -59.65 4.42 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.106 -0.702 . . . . 2.24 109.106 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.8 mm -39.11 -55.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.303 -0.408 . . . . 1.92 110.76 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -56.7 -51.22 69.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.04 0.448 . . . . 3.58 110.999 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -40.85 79.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 3.45 111.842 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -46.95 65.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.844 -0.428 . . . . 2.77 109.844 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.092 0.472 . . . . 3.62 109.887 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -63.91 -45.62 88.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 3.19 109.856 179.471 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.06 -48.09 64.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.575 . . . . 3.08 110.255 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.472 HG22 ' NH2' ' A' ' 51' ' ' ARG . 18.7 t -58.0 -48.68 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.849 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 m -63.07 -26.0 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 3.01 111.646 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 m -76.63 -54.02 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 3.19 110.788 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 4.37 110.664 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.991 0.424 . . . . 4.24 110.533 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -42.52 89.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 3.83 110.056 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.77 -53.06 62.09 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.317 -0.623 . . . . 4.27 109.317 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -40.05 71.57 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.066 -0.716 . . . . 5.49 109.066 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -46.6 82.88 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.428 -0.806 . . . . 4.3 109.694 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -49.93 74.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.742 -0.663 . . . . 4.17 109.976 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -51.61 -50.06 60.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.659 -0.497 . . . . 3.6 109.659 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -40.43 74.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.972 -0.558 . . . . 3.17 109.745 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' NH2' HG22 ' A' ' 30' ' ' VAL . 21.8 ttp180 -66.54 -32.86 74.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 4.13 109.806 179.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.92 -51.84 67.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.889 -0.596 . . . . 2.9 110.282 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.7 mm-40 -53.0 -51.06 62.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 3.17 109.939 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.5 89.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.968 -0.56 . . . . 1.35 110.045 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.795 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.93 -53.64 46.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.624 -0.717 . . . . 2.6 110.273 179.043 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -35.58 74.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 2.67 111.432 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.99 -42.09 99.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 1.37 110.463 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.45 -23.43 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 1.43 111.546 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.637 ' CD2' ' NE1' ' A' ' 95' ' ' TRP . 17.0 m80 -70.63 -42.94 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 2.61 111.35 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 1.105 ' OE1' ' NE2' ' A' ' 64' ' ' GLN . 2.1 tp10 -56.73 -60.39 9.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 3.01 111.564 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 35.8 Cg_exo -59.41 -48.85 12.11 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.709 1.606 . . . . 1.6 112.608 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.41 -55.31 30.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.108 0.48 . . . . 1.31 111.752 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -58.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.867 -0.606 . . . . 1.08 111.558 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 1.105 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 2.8 mp0 -49.16 -46.78 45.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.5 -0.318 . . . . 3.27 110.493 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.4 -54.02 7.7 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.794 -0.717 . . . . 1.14 112.052 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.672 HG12 HD11 ' A' ' 88' ' ' LEU . 63.7 t -58.06 -51.62 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.57 -0.452 . . . . 1.46 110.58 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.87 -51.89 47.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 2.13 111.076 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.689 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 9.6 m-20 -54.12 -50.03 67.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 2.24 110.251 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -57.31 -51.73 68.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.02 110.496 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.89 -42.54 47.05 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.495 -0.86 . . . . 0.79 111.439 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.48 99.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.447 -0.575 . . . . 3.25 109.447 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.884 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 26.9 mmtp -63.97 -33.26 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.613 -0.721 . . . . 3.71 110.681 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mp -61.33 -43.15 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 1.52 109.918 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 -32.36 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.751 -0.659 . . . . 1.76 110.622 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.12 -38.12 81.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.86 -0.609 . . . . 2.34 111.589 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.884 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -94.42 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.427 -0.351 . . . . 2.89 111.357 -179.384 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 173.11 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.946 -0.57 . . . . 4.42 111.099 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -123.03 2.16 9.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 4.87 111.252 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 79' ' ' ILE . 6.7 tp -51.31 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 120.896 0.379 . . . . 4.56 111.319 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 30.34 57.03 0.23 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.54 -0.755 . . . . 2.87 113.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -48.16 29.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.686 0.243 . . . . 4.4 111.451 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.53 -43.68 89.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 3.0 110.723 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 86' ' ' GLN . 1.6 tm-20 -57.06 -50.48 72.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.959 0.409 . . . . 2.94 110.035 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mt -58.19 -45.94 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 2.47 109.84 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -53.88 -50.23 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 3.13 110.99 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.548 ' HG3' ' N ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -59.86 -42.89 94.67 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.683 0.278 . . . . 3.09 110.484 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -59.67 -50.22 74.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 4.43 110.74 179.522 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.672 HD11 HG12 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.32 -40.54 82.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 1.9 110.742 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -30.34 66.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.97 111.39 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.556 HE21 ' CE1' ' A' ' 94' ' ' HIS . 32.9 tp60 -66.75 -46.2 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 2.72 110.389 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 66.4 t80 -53.79 -48.81 69.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.156 0.503 . . . . 1.19 109.895 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 t -56.54 -49.82 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 1.37 110.212 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -53.12 33.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.843 0.354 . . . . 1.71 110.256 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.556 ' CE1' HE21 ' A' ' 90' ' ' GLN . 26.4 m-70 -53.41 -56.84 13.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 2.46 110.045 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 27.1 t90 -51.79 -44.09 63.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.955 -0.566 . . . . 2.64 110.574 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -49.66 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 2.86 110.462 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.76 -53.23 51.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 3.03 110.488 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.8 mt -54.22 -46.26 72.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.982 -0.553 . . . . 2.38 110.352 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -56.56 -49.3 75.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.422 -0.584 . . . . 4.07 109.422 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.54 19.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.497 -0.774 . . . . 3.33 110.134 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.6 tp -51.89 -52.99 45.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 2.59 110.182 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.74 -46.31 50.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.783 -0.644 . . . . 2.24 111.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.73 -50.99 64.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.754 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.28 85.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.236 -0.438 . . . . 2.74 110.426 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -55.59 -44.1 76.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.886 -0.597 . . . . 4.42 110.12 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.32 27.27 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 115.768 -0.651 . . . . 3.27 112.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 . . . . . 0 C--N 1.332 -0.179 0 N-CA-C 110.163 -0.31 . . . . 4.07 110.163 179.512 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.304 . . . . 4.11 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.02 -44.8 79.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 3.73 110.493 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 43.6 t80 -53.25 -49.81 66.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.355 -0.384 . . . . 1.14 110.867 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.947 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 18.3 m-85 -49.44 -47.42 48.19 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.669 -0.413 . . . . 2.77 109.918 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -59.86 -52.99 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 4.35 109.804 178.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 1.125 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 5.4 m-20 -50.54 -45.6 57.0 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.285 -0.416 . . . . 2.1 110.618 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.56 -54.9 41.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.34 -0.391 . . . . 2.23 110.024 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.947 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 1.3 m-20 -53.21 -46.12 68.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.698 -0.482 . . . . 2.46 109.698 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.125 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -52.56 -53.32 47.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.551 -0.295 . . . . 2.49 110.497 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 12.4 pt-20 -60.31 -56.2 24.34 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.888 -0.412 . . . . 3.07 109.888 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 4.3 mm-40 -47.12 -40.26 15.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.431 -0.581 . . . . 2.5 109.431 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -38.23 89.55 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 1.59 110.05 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.415 ' HB3' ' O ' ' A' ' 19' ' ' GLU . 66.2 t90 -54.89 -45.98 74.72 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.553 -0.536 . . . . 2.24 109.553 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mm -50.25 -56.92 2.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.598 0.713 . . . . 1.92 109.116 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -41.45 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.031 -0.986 . . . . 3.58 110.991 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -63.15 -43.35 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 3.45 110.823 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -61.59 -50.07 74.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.725 -0.472 . . . . 2.77 109.725 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -54.69 -46.42 74.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.694 -0.484 . . . . 3.62 109.694 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.21 -35.34 78.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 3.19 110.254 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 51' ' ' ARG . 22.1 tp -58.75 -54.2 49.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 3.08 109.812 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 t -57.71 -37.9 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.239 0.543 . . . . 2.48 109.733 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -66.41 -31.44 72.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.183 -0.917 . . . . 3.01 110.477 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 t -81.92 -30.0 32.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.74 -0.664 . . . . 3.19 111.439 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 4.37 111.669 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.096 0.474 . . . . 4.24 110.069 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.15 -50.98 71.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 3.83 110.569 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.92 -49.3 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.031 -0.359 . . . . 4.27 110.031 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -42.4 62.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 5.49 110.608 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -46.68 89.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.351 -0.386 . . . . 4.3 110.221 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -60.79 -45.44 94.36 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.774 -0.454 . . . . 4.17 109.774 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -50.2 -50.17 50.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.759 -0.655 . . . . 3.6 110.71 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.99 -49.4 50.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.925 0.393 . . . . 3.17 110.658 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.553 ' CZ ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.01 -39.6 82.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 4.13 110.084 179.25 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.03 -52.38 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 2.9 110.205 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.678 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.4 mm-40 -49.17 -44.52 42.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 3.17 110.968 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.23 23.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.06 0.457 . . . . 1.35 110.235 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.8 -39.64 65.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.772 -0.649 . . . . 2.6 110.58 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 2.1 tp -62.19 -50.27 72.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 2.67 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -63.13 -27.77 69.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 1.37 111.92 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.8 53.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.737 0.643 . . . . 1.43 112.737 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.643 ' CD2' ' HE1' ' A' ' 95' ' ' TRP . 28.0 p-80 -75.69 -20.7 58.21 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.554 0.576 . . . . 2.61 112.554 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.605 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -60.69 -62.17 6.5 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 108.364 -0.976 . . . . 3.01 108.364 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 53.1 Cg_exo -58.59 -39.97 78.04 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.578 2.185 . . . . 1.6 111.537 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.86 -45.54 94.13 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.737 -0.665 . . . . 1.31 111.365 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 64' ' ' GLN . 1.2 mp -60.48 -54.51 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.08 109.745 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.503 ' N ' HG22 ' A' ' 63' ' ' ILE . 27.2 tt0 -47.8 -52.21 19.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.888 -0.596 . . . . 3.27 110.627 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.13 -49.21 37.64 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.675 -0.774 . . . . 1.14 112.043 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.3 t -55.9 -50.65 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 1.46 110.468 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.71 -51.19 66.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 2.13 110.622 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.19 -51.15 59.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 2.24 110.914 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.479 ' HB ' ' CD1' ' A' ' 12' ' ' PHE . 2.1 m -61.26 -49.4 77.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.896 0.379 . . . . 1.02 110.301 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.4 -39.86 52.84 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.627 -0.797 . . . . 0.79 111.522 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -44.18 51.34 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.054 0.454 . . . . 3.25 110.013 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -53.89 50.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.67 -0.695 . . . . 3.71 109.941 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.28 -42.89 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 1.52 110.401 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -53.26 53.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 1.76 110.666 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -45.12 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.34 111.385 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.67 43.98 1.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.003 0.371 . . . . 2.89 112.003 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -45.33 134.12 6.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.509 0.195 . . . . 4.42 110.632 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.6 105.76 1.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 4.87 111.132 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.641 HG22 ' N ' ' A' ' 80' ' ' GLY . 70.8 mt 34.67 -109.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.028 -0.533 . . . . 4.56 111.786 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.641 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -31.08 -37.2 0.02 OUTLIER Glycine 0 C--N 1.337 0.604 0 N-CA-C 114.092 0.397 . . . . 2.87 114.092 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -46.9 -36.13 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.93 0.345 . . . . 4.4 111.93 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -48.1 82.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.693 -0.231 . . . . 3.0 111.045 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.1 -49.93 72.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.481 . . . . 2.94 109.945 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -55.58 -51.69 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 2.47 110.284 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -45.22 72.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 3.13 110.96 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 3.09 110.229 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.409 ' NH1' ' SD ' ' A' ' 16' ' ' MET . 28.0 ttp85 -59.6 -50.8 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 4.43 110.173 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -45.0 78.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.992 0.425 . . . . 1.9 110.091 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.795 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -58.13 -38.16 76.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.039 -0.528 . . . . 0.97 110.055 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.31 -44.08 92.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 2.72 109.546 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 9.0 t80 -55.53 -49.48 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 1.19 110.617 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 89' ' ' ALA . 8.6 p -56.25 -46.87 81.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 120.741 -0.384 . . . . 1.37 110.629 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.915 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.26 -52.98 49.47 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.454 -0.573 . . . . 1.71 109.454 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.915 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 7.3 m-70 -52.25 -56.73 12.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.787 -0.642 . . . . 2.46 109.965 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.643 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 13.1 t90 -45.86 -43.07 13.24 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.086 -0.506 . . . . 2.64 111.356 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 7.3 mttt -53.96 -53.21 55.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.873 -0.331 . . . . 2.86 110.656 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.08 -51.99 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.034 0.445 . . . . 3.03 110.639 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.5 mt -58.31 -36.5 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 2.38 110.802 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -61.43 -50.48 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.846 -0.428 . . . . 4.07 109.846 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -57.51 -50.26 73.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.042 -0.526 . . . . 3.33 109.847 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.84 -48.59 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 2.59 110.435 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.3 74.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 2.24 110.891 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.33 72.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 2.56 110.397 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.33 84.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.55 . . . . 2.74 110.57 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -57.83 -45.82 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 4.42 110.359 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.97 -29.41 69.11 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.667 -0.778 . . . . 3.27 112.661 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.644 0.259 . . . . 4.07 111.581 -179.364 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.433 ' CE1' ' HG2' ' A' ' 11' ' ' GLN . 12.3 p80 . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.488 0.185 . . . . 4.11 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 1.097 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 15.8 mm100 -66.34 -39.78 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.958 -0.386 . . . . 3.73 109.958 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 34.9 t80 -53.28 -50.63 64.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.201 -0.454 . . . . 1.14 110.037 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.47 -52.21 55.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.429 -0.35 . . . . 2.77 110.319 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -53.34 39.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 4.35 110.019 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 1.097 ' OD1' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -51.79 -53.57 38.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.002 0.43 . . . . 2.1 109.946 178.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -52.19 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 2.23 110.632 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -53.93 -51.84 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 2.46 110.467 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.505 -0.316 . . . . 2.49 110.755 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -65.43 -56.62 11.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.332 . . . . 3.07 110.181 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -45.97 -42.68 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.324 -0.398 . . . . 2.5 110.25 178.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -40.98 67.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.714 -0.476 . . . . 1.59 109.714 178.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.603 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 26.1 t90 -56.1 -40.2 73.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.659 -0.7 . . . . 2.24 111.754 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 20' ' ' GLU . 7.3 tp -64.56 -52.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.157 -0.617 . . . . 1.92 110.414 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -56.57 -43.03 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.977 0.418 . . . . 3.58 110.455 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -37.27 73.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.798 -0.637 . . . . 3.45 111.075 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 11.6 tptp -68.21 -41.83 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 2.77 110.16 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HB2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -53.39 -46.44 69.68 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.189 0.518 . . . . 3.62 109.908 178.627 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.19 -39.64 90.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.026 -0.534 . . . . 3.19 110.207 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.63 -45.28 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 3.08 110.412 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -52.54 -46.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.007 0.432 . . . . 2.48 110.392 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -56.39 -34.35 66.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 3.01 111.01 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -77.25 -44.18 30.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 3.19 111.033 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 4.37 110.943 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.818 0.342 . . . . 4.24 110.254 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.44 ' ND2' ' HE3' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -58.39 -50.95 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 3.83 109.653 179.165 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -54.59 -55.88 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.382 -0.826 . . . . 4.27 110.653 179.383 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.82 -33.45 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.876 -0.602 . . . . 5.49 111.26 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HE3' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -71.54 -33.01 68.78 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.468 -0.567 . . . . 4.3 109.468 179.103 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.65 91.71 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.236 -0.653 . . . . 4.17 109.236 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -46.83 -58.75 3.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.946 0.403 . . . . 3.6 110.176 179.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -56.58 -45.95 81.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.139 -0.482 . . . . 3.17 110.75 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 -63.74 -27.04 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 4.13 110.321 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.52 -54.46 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 2.9 110.757 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG2' ' N ' ' A' ' 54' ' ' ALA . 2.1 pt-20 -53.88 -43.95 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 3.17 110.571 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.481 ' N ' ' HG2' ' A' ' 53' ' ' GLU . . . -62.25 -48.69 78.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.109 0.481 . . . . 1.35 109.871 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.5 mt-10 -54.75 -53.52 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.628 -0.715 . . . . 2.6 110.889 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.603 HD23 ' CH2' ' A' ' 95' ' ' TRP . 23.6 mt -55.53 -40.06 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.4 -0.363 . . . . 2.67 111.563 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -57.85 -43.38 85.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.37 111.663 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.01 -26.41 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.89 0.7 . . . . 1.43 112.89 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.835 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.3 m80 -77.18 -33.92 56.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 2.61 111.551 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -56.77 -60.8 8.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 3.01 110.841 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.4 Cg_exo -55.4 -40.19 86.93 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.394 2.063 . . . . 1.6 112.414 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.43 -49.43 74.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.287 -0.415 . . . . 1.31 111.249 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.0 mt -70.65 -45.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 1.08 110.796 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -46.57 70.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 3.27 110.522 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.58 -49.96 25.96 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.736 -0.745 . . . . 1.14 111.717 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 67' ' ' LEU . 1.2 t -57.86 -50.67 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.395 . . . . 1.46 110.321 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' N ' HG12 ' A' ' 66' ' ' VAL . 20.7 tp -52.83 -53.16 52.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 2.13 110.706 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.6 -47.09 73.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.24 110.842 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -60.48 -48.84 80.02 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.161 -0.311 . . . . 1.02 110.161 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.05 -41.66 53.28 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.675 -0.774 . . . . 0.79 111.275 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 1.106 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -57.97 -47.32 83.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.2 -0.667 . . . . 3.25 109.2 178.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HA ' ' OD1' ' A' ' 75' ' ' ASP . 1.7 tmtm? -57.4 -46.29 83.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.721 -0.672 . . . . 3.71 109.764 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.472 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 3.3 mp -48.67 -54.96 12.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 1.52 109.555 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -54.23 -42.32 69.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 1.76 109.988 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 1.106 ' OD1' ' O ' ' A' ' 71' ' ' LYS . 3.6 m-20 -63.3 -30.55 71.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.584 -0.734 . . . . 2.34 112.242 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.37 -5.01 23.38 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.587 0.958 . . . . 2.89 113.587 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 73' ' ' LEU . 8.4 p30 -150.18 14.32 0.79 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.347 -0.541 . . . . 4.42 112.365 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.472 ' OG1' HD13 ' A' ' 79' ' ' ILE . 30.1 p 32.0 -99.41 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 4.87 112.124 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.16 127.48 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.333 -0.394 . . . . 4.56 111.361 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.85 -36.77 2.07 Favored Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.111 -0.796 . . . . 2.87 111.111 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -33.32 6.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.311 -0.444 . . . . 4.4 111.299 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -43.55 -53.59 5.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.664 0.269 . . . . 3.0 111.36 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.51 -50.84 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.106 0.479 . . . . 2.94 109.984 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.57 -45.89 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.859 -0.609 . . . . 2.47 110.823 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.8 -50.08 66.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.423 -0.353 . . . . 3.13 110.811 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.46 -47.3 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 3.09 110.459 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -50.82 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 4.43 110.688 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.74 -35.83 69.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 1.9 110.354 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.5 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -61.43 -37.92 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.97 110.455 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.675 HE21 ' CE1' ' A' ' 94' ' ' HIS . 45.4 tp60 -66.97 -40.93 87.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.27 0.557 . . . . 2.72 109.83 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.531 ' CE1' HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -59.99 -53.57 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 1.19 109.986 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -53.88 -44.46 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.774 -0.37 . . . . 1.37 110.216 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.6 OUTLIER -51.95 -58.54 6.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.77 0.319 . . . . 1.71 110.942 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.675 ' CE1' HE21 ' A' ' 90' ' ' GLN . 5.3 m-70 -57.09 -48.48 78.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.912 0.387 . . . . 2.46 111.102 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.603 ' CH2' HD23 ' A' ' 56' ' ' LEU . 12.7 t-105 -62.33 -35.25 78.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 2.64 110.608 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -47.87 82.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 2.86 109.937 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.27 -48.11 81.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.038 0.447 . . . . 3.03 109.856 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 27' ' ' LYS . 1.3 mp -57.27 -46.92 82.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.897 -0.592 . . . . 2.38 110.245 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -55.59 -50.58 69.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 4.07 109.849 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -51.41 -54.85 22.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 3.33 110.108 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -50.12 60.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 2.59 110.262 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.56 74.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.956 -0.566 . . . . 2.24 110.911 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 2.56 110.706 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.25 85.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.18 0.514 . . . . 2.74 109.757 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -49.47 -55.68 12.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.36 -0.837 . . . . 4.42 110.27 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -36.93 93.23 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.889 -0.672 . . . . 3.27 112.247 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.523 0.201 . . . . 4.07 111.321 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.351 -0.611 . . . . 4.11 109.351 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -68.88 -46.0 69.54 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.601 -0.727 . . . . 3.73 109.849 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.513 ' CD2' HD11 ' A' ' 73' ' ' LEU . 72.5 t80 -47.66 -50.33 25.0 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.342 -0.543 . . . . 1.14 109.666 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -50.71 -50.82 54.35 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.556 . . . . 2.77 109.5 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.579 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.9 -56.39 21.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.943 -0.572 . . . . 4.35 109.832 178.565 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 1.275 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 1.1 m-20 -49.95 -43.66 50.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.278 -0.419 . . . . 2.1 110.395 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.579 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -57.98 -54.25 49.02 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.298 0.571 . . . . 2.23 110.192 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.403 ' HB2' HH21 ' A' ' 14' ' ' ARG . 11.4 m-20 -55.94 -41.47 74.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.187 -0.672 . . . . 2.46 109.187 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.275 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -57.6 -46.74 83.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.988 -0.551 . . . . 2.49 110.883 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 11.7 pt-20 -64.16 -55.65 20.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.382 -0.599 . . . . 3.07 109.382 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.959 ' OE1' HD12 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -50.42 -39.22 46.75 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.299 -0.63 . . . . 2.5 109.299 178.237 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -65.54 -41.09 93.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.422 -0.808 . . . . 1.59 109.767 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.844 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 49.5 t90 -53.07 -47.07 68.78 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.797 -0.445 . . . . 2.24 109.797 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.959 HD12 ' OE1' ' A' ' 20' ' ' GLU . 48.0 mt -52.68 -59.9 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.396 0.617 . . . . 1.92 109.895 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -44.44 57.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.341 -0.845 . . . . 3.58 111.161 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -47.95 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 3.45 110.693 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.0 89.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 2.77 110.255 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -49.06 62.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.82 -0.437 . . . . 3.62 109.82 179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.62 -32.02 73.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.075 0.464 . . . . 3.19 109.964 179.107 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.39 -47.45 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.968 -0.56 . . . . 3.08 110.11 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -36.97 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.988 0.423 . . . . 2.48 109.921 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 m -55.96 -37.69 69.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.575 -0.739 . . . . 3.01 110.28 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -80.39 -53.61 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 3.19 110.504 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 4.37 110.381 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.4 tp60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.732 0.301 . . . . 4.24 110.451 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.1 -42.4 98.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 3.83 110.094 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.18 -58.62 7.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.993 -0.548 . . . . 4.27 110.769 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -36.79 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.369 -0.378 . . . . 5.49 110.597 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.64 -42.6 98.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 4.3 110.123 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -62.02 -45.91 91.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.814 -0.63 . . . . 4.17 110.312 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.8 -50.46 73.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 3.6 110.438 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -44.22 81.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 3.17 110.926 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -47.86 83.78 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.05 0.452 . . . . 4.13 110.012 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.72 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.736 -0.666 . . . . 2.9 109.5 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -49.47 -52.91 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.808 -0.633 . . . . 3.17 110.732 179.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.13 79.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.079 0.466 . . . . 1.35 110.381 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.81 -52.57 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 2.6 110.73 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.7 -44.01 66.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 2.67 111.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.31 75.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.37 111.445 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.66 -21.42 48.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.036 -0.529 . . . . 1.43 111.644 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.844 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -67.73 -31.18 70.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.011 0.375 . . . . 2.61 112.011 -179.173 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.584 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 1.9 mp0 -60.15 -63.19 4.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.155 -0.618 . . . . 3.01 109.65 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -62.44 -43.78 21.06 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.145 1.897 . . . . 1.6 112.104 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -55.78 27.36 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.611 -0.722 . . . . 1.31 112.375 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.41 -44.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 121.029 -0.268 . . . . 1.08 111.324 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -49.88 14.7 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.716 -0.476 . . . . 3.27 109.716 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.2 -48.73 39.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 1.14 111.401 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.43 -47.14 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.104 0.478 . . . . 1.46 109.952 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 5.2 mp -55.86 -52.89 62.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.758 -0.655 . . . . 2.13 110.454 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -53.34 -49.05 67.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 2.24 110.444 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.3 m -56.03 -54.17 48.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.341 -0.39 . . . . 1.02 110.487 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.48 -42.39 75.44 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 120.431 -0.89 . . . . 0.79 111.777 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -59.23 -37.59 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.846 0.355 . . . . 3.25 110.299 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -57.92 9.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.042 -0.526 . . . . 3.71 110.63 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -53.1 -38.58 62.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 1.52 110.486 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -59.6 -51.77 68.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 1.76 111.065 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.5 -44.41 62.52 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.794 0.33 . . . . 2.34 111.222 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.09 14.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 2.89 111.703 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 43.09 41.44 2.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.82 0.343 . . . . 4.42 111.429 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -73.53 139.89 45.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.384 . . . . 4.87 110.682 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' ILE . 15.5 tt -57.67 116.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 4.56 111.022 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.07 -23.61 8.59 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.07 -0.586 . . . . 2.87 112.064 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -45.86 -40.68 10.26 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 111.618 0.229 . . . . 4.4 111.618 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -57.19 -57.59 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.62 0.248 . . . . 3.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.2 tp10 -53.67 -45.52 70.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 2.94 110.004 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.41 HD13 HD12 ' A' ' 73' ' ' LEU . 86.1 mt -56.06 -52.88 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 2.47 110.682 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -43.88 71.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.391 . . . . 3.13 110.972 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.64 -49.27 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.551 -0.295 . . . . 3.09 110.755 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -45.24 92.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 4.43 110.193 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 92' ' ' VAL . 7.4 tt -54.79 -45.76 74.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.847 -0.615 . . . . 1.9 110.523 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.05 77.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 0.97 110.537 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -35.44 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 2.72 109.668 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 23' ' ' ILE . 19.6 t80 -59.52 -52.19 66.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.767 -0.651 . . . . 1.19 110.158 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 88' ' ' LEU . 2.5 t -54.49 -52.05 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.818 -0.438 . . . . 1.37 109.818 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -49.79 -54.08 21.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.006 178.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.521 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.2 m-70 -52.61 -56.26 16.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.449 . . . . 2.46 111.192 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.409 ' HD1' HD12 ' A' ' 98' ' ' LEU . 12.2 t90 -58.47 -34.36 70.78 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 120.623 -0.431 . . . . 2.64 111.598 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.624 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -57.38 -44.91 84.86 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.422 -0.511 . . . . 2.86 109.848 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.624 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 5.2 mm-40 -59.23 -47.93 83.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.99 0.424 . . . . 3.03 110.138 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.731 HD11 HG23 ' A' ' 23' ' ' ILE . 20.3 mt -55.98 -46.62 78.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 2.38 110.179 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.467 ' HB2' ' HZ3' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -55.72 -53.62 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.546 . . . . 4.07 109.928 179.558 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -53.98 -50.55 66.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.265 -0.425 . . . . 3.33 109.956 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.14 -47.88 65.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 2.59 110.429 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.48 -49.38 61.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.271 -0.422 . . . . 2.24 110.699 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.06 76.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 2.56 110.283 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.68 83.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.902 -0.59 . . . . 2.74 110.704 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -40.39 82.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 4.42 110.307 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.88 83.08 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.914 -0.66 . . . . 3.27 111.776 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 4.07 110.233 179.379 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 t60 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.478 0.18 . . . . 4.11 111.442 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -56.8 -41.91 78.59 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.237 -0.185 . . . . 3.73 110.854 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 19.9 t80 -56.25 -44.24 79.49 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.705 -0.85 . . . . 1.14 108.705 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -50.97 38.13 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.911 -0.774 . . . . 2.77 108.911 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -56.2 -53.72 53.76 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.658 -0.701 . . . . 4.35 109.588 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 1.063 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 3.8 m-20 -48.97 -49.64 39.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.787 0.327 . . . . 2.1 110.291 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.992 ' HA ' ' OE2' ' A' ' 19' ' ' GLU . 1.9 mmm -53.79 -52.66 59.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.118 0.485 . . . . 2.23 109.952 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.05 -44.75 71.34 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.722 -0.672 . . . . 2.46 109.688 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -43.09 62.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 2.49 110.738 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 1.27 ' OE1' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -66.99 -59.04 3.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.568 -0.53 . . . . 3.07 109.568 178.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.55 -37.88 8.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.992 -0.744 . . . . 2.5 108.992 178.364 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -67.63 -45.68 74.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.374 -0.83 . . . . 1.59 109.509 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.641 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 63.7 t90 -49.82 -43.74 48.92 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.298 -0.41 . . . . 2.24 110.041 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -50.39 -59.71 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 1.92 109.85 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -43.65 70.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 3.58 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -45.38 86.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.439 . . . . 3.45 111.042 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -63.11 -50.6 69.85 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.632 -0.507 . . . . 2.77 109.632 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -50.29 -43.3 53.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.266 0.555 . . . . 3.62 109.666 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -38.96 92.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.676 -0.693 . . . . 3.19 110.3 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -43.86 95.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 3.08 110.028 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG22 ' HE2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -56.5 -39.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.742 -0.663 . . . . 2.48 110.526 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 3.01 110.466 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 2.6 m -73.03 -43.54 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 3.19 110.595 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 32' ' ' SER . 3.8 mm-40 . . . . . 0 N--CA 1.475 0.81 0 O-C-N 124.571 1.169 . . . . 4.37 110.571 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.104 0.478 . . . . 4.24 110.358 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.765 -0.652 . . . . 3.83 109.801 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.7 -56.76 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 4.27 109.528 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -40.27 71.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.007 -0.542 . . . . 5.49 109.724 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.97 96.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.663 -0.699 . . . . 4.3 110.187 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HE2' HG22 ' A' ' 30' ' ' VAL . 10.6 mttt -58.36 -50.58 73.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.591 -0.522 . . . . 4.17 109.591 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.41 -53.97 31.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 3.6 110.502 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 1.241 ' CA ' ' OE1' ' A' ' 53' ' ' GLU . 2.1 mptp? -52.71 -48.04 66.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.959 0.409 . . . . 3.17 110.345 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -58.6 -38.11 77.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 4.13 110.201 179.355 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -53.4 58.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.621 -0.718 . . . . 2.9 110.154 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 1.241 ' OE1' ' CA ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -51.11 -48.9 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 3.17 110.407 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.25 63.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.431 . . . . 1.35 110.65 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.45 -49.2 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 2.6 110.142 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.06 -39.74 56.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 2.67 111.674 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.88 -48.73 75.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 1.37 111.49 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.66 -24.76 53.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 1.43 111.481 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.641 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -73.86 -26.88 60.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.296 -0.411 . . . . 2.61 111.59 -179.179 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.583 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -58.16 -62.39 5.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 119.022 -1.071 . . . . 3.01 108.603 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.583 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 47.2 Cg_exo -57.94 -48.58 15.81 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.335 2.023 . . . . 1.6 112.342 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.83 -56.37 21.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.082 -0.508 . . . . 1.31 112.298 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CG1' ' O ' ' A' ' 59' ' ' HIS . 1.4 mm -55.14 -50.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 1.08 110.403 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.71 -49.77 64.71 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.411 -0.359 . . . . 3.27 110.318 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.96 -46.37 14.53 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.851 -0.69 . . . . 1.14 111.984 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.27 HG11 ' OE1' ' A' ' 19' ' ' GLU . 5.8 t -57.24 -57.77 8.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.006 0.431 . . . . 1.46 110.126 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 67' ' ' LEU . 9.4 tt -48.64 -51.47 28.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.95 -0.568 . . . . 2.13 110.147 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -53.18 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 2.24 110.647 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -56.65 -47.3 80.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.852 0.358 . . . . 1.02 110.436 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.48 -42.73 84.56 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.482 -0.866 . . . . 0.79 111.666 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -58.52 -39.9 81.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.832 0.348 . . . . 3.25 110.513 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.32 -54.69 15.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.12 -0.491 . . . . 3.71 110.688 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.21 -48.29 71.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 1.52 110.55 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -45.04 65.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.766 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -40.12 94.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 2.34 110.84 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 5.4 m-20 -61.91 -46.98 86.97 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.605 -0.517 . . . . 2.89 109.605 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -167.56 136.95 2.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.387 -0.824 . . . . 4.42 109.618 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.898 HG22 ' OE2' ' A' ' 82' ' ' GLU . 4.0 m -89.21 -39.64 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 4.87 111.107 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mm -56.82 99.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.048 -0.524 . . . . 4.56 110.946 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.99 -36.59 3.39 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 115.959 -0.564 . . . . 2.87 112.279 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -25.94 58.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.396 0.147 . . . . 4.4 111.396 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.898 ' OE2' HG22 ' A' ' 78' ' ' THR . 65.8 mm-40 -40.51 -47.24 2.63 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.706 -0.224 . . . . 3.0 111.284 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.1 -59.98 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 2.94 110.665 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.7 mt -55.43 -44.72 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 2.47 110.254 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -42.56 70.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 3.13 110.587 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -49.71 76.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.863 0.363 . . . . 3.09 110.206 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -61.52 -47.34 86.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 4.43 110.127 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 92' ' ' VAL . 64.8 tp -55.63 -43.1 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 1.9 110.185 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.01 78.29 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.176 -0.466 . . . . 0.97 110.058 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.65 -43.3 94.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 2.72 109.9 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -56.16 -49.1 74.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.07 -0.514 . . . . 1.19 109.816 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 88' ' ' LEU . 2.4 t -51.84 -52.94 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.456 -0.338 . . . . 1.37 110.691 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.792 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.11 -52.31 44.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 1.71 110.411 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.792 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 11.0 m-70 -55.39 -52.92 61.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.072 0.463 . . . . 2.46 109.962 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 59' ' ' HIS . 56.8 t-105 -51.27 -44.9 61.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.696 -0.684 . . . . 2.64 110.042 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -54.21 -55.43 28.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.419 -0.809 . . . . 2.86 110.189 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -43.84 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 3.03 110.148 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -52.99 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 2.38 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -57.87 -43.65 86.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 4.07 109.99 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -53.41 58.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 3.33 110.261 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.51 -49.16 65.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 2.59 110.095 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.56 58.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.926 -0.579 . . . . 2.24 110.733 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.16 -48.55 70.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 2.56 110.747 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.02 81.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.993 -0.549 . . . . 2.74 110.576 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.63 98.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 4.42 110.553 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.0 97.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.782 -0.723 . . . . 3.27 111.787 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.957 0.408 . . . . 4.07 110.272 179.613 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.48 ' CD2' HE22 ' A' ' 11' ' ' GLN . 1.5 t60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.879 0.371 . . . . 4.11 110.437 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.48 HE22 ' CD2' ' A' ' 10' ' ' HIS . 1.3 mp0 -66.04 -29.97 70.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 3.73 110.22 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.514 ' HE2' HD12 ' A' ' 84' ' ' ILE . 80.4 t80 -58.03 -50.49 73.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.397 -0.594 . . . . 1.14 109.397 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -50.43 56.56 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.77 -0.455 . . . . 2.77 109.77 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -54.72 -53.98 47.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 4.35 110.037 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -50.98 -50.04 59.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 2.1 110.223 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -54.24 36.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.304 -0.407 . . . . 2.23 110.61 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.74 -48.11 72.99 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.243 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -46.32 61.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 2.49 110.584 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.666 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 5.2 mm-40 -65.25 -58.46 5.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 3.07 109.786 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -40.32 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 2.5 109.729 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 t -67.08 -47.03 72.47 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.345 -0.613 . . . . 1.59 109.345 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 47.4 t90 -49.4 -45.45 46.13 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.064 -0.516 . . . . 2.24 109.805 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.4 mm -45.96 -59.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.035 0.445 . . . . 1.92 110.343 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -55.8 -46.49 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 3.58 110.675 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -35.88 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 3.45 110.962 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -55.03 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 2.77 110.557 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.16 -37.26 61.71 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.883 0.373 . . . . 3.62 110.432 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 tt -70.9 -35.73 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 3.19 110.223 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.07 -45.36 95.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.964 -0.562 . . . . 3.08 110.644 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.12 -47.78 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 2.48 110.446 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m -53.49 -33.25 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 3.01 111.092 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 m -80.8 -52.6 7.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 3.19 111.401 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-N 115.988 -0.551 . . . . 4.37 111.376 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.183 0.516 . . . . 4.24 110.033 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.9 -36.67 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 3.83 110.224 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.57 -57.32 11.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 4.27 110.006 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -48.55 -42.45 33.48 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.123 -0.49 . . . . 5.49 110.569 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -43.29 85.07 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.076 -0.511 . . . . 4.3 110.45 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.36 -41.81 94.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 4.17 110.22 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -55.63 32.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 3.6 110.375 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -53.29 -42.45 66.62 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.15 -0.477 . . . . 3.17 110.509 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -38.44 91.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 4.13 109.972 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -53.66 55.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 2.9 110.731 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.45 -49.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.389 -0.368 . . . . 3.17 110.771 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.84 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.151 0.5 . . . . 1.35 110.143 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE2' ' CE1' ' A' ' 59' ' ' HIS . 23.2 tp10 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.467 -0.788 . . . . 2.6 110.512 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.7 tt -56.23 -39.28 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 2.67 111.916 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.81 -52.75 62.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.114 -0.493 . . . . 1.37 112.251 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.72 -23.88 42.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.43 112.065 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.713 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 6.7 m80 -72.88 -25.51 61.11 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 2.61 112.503 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.57 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -65.52 -61.4 5.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.253 -0.647 . . . . 3.01 109.253 179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 31.8 Cg_exo -58.54 -40.87 70.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.116 1.877 . . . . 1.6 112.158 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.39 -61.23 2.73 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.519 0.563 . . . . 1.31 112.519 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.602 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 1.6 mp -68.97 -40.18 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.675 -0.239 . . . . 1.08 111.315 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -56.65 -52.24 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.641 0.258 . . . . 3.27 110.664 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.2 -45.36 10.32 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.766 -0.731 . . . . 1.14 111.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.95 -58.59 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.899 0.381 . . . . 1.46 110.173 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tt -46.72 -48.67 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 2.13 110.659 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -55.24 30.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 2.24 110.959 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.408 ' HB ' ' CE1' ' A' ' 12' ' ' PHE . 5.5 m -58.03 -44.01 87.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.936 0.398 . . . . 1.02 110.119 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.724 -0.75 . . . . 0.79 111.448 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -60.44 -37.02 79.62 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.851 -0.426 . . . . 3.25 109.851 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -50.81 70.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.846 -0.616 . . . . 3.71 110.085 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.01 -49.66 11.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.154 0.502 . . . . 1.52 110.474 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -50.52 -48.99 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.771 -0.649 . . . . 1.76 111.785 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -57.16 -43.77 82.87 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.157 0.428 . . . . 2.34 112.157 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -83.65 -16.04 46.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.703 0.261 . . . . 2.89 111.703 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 66.54 109.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 4.42 110.498 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.459 ' H ' ' HD3' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -146.93 143.28 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 4.87 110.651 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 pt -65.99 113.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.364 -0.38 . . . . 4.56 110.688 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.25 -28.12 4.62 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.551 -0.62 . . . . 2.87 111.551 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' ' 78' ' ' THR . 11.9 pttm -47.33 -45.91 24.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 4.4 111.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -54.09 -58.11 8.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 3.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.39 -39.99 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.039 0.447 . . . . 2.94 110.092 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.514 HD12 ' HE2' ' A' ' 12' ' ' PHE . 12.3 mm -55.26 -50.92 60.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 2.47 110.061 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -48.35 67.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 3.13 110.641 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.18 -51.08 70.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 3.09 110.377 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -58.26 -47.36 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 4.43 110.661 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 92' ' ' VAL . 35.6 tp -57.19 -41.68 79.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 1.9 110.704 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.48 75.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.97 110.262 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.03 -39.74 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.646 . . . . 2.72 109.377 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.666 ' CZ ' ' HB3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -54.86 -54.34 43.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.34 -0.845 . . . . 1.19 110.116 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 88' ' ' LEU . 4.6 t -55.4 -53.26 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 1.37 111.371 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.87 -44.49 86.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.703 0.287 . . . . 1.71 111.233 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.44 -48.91 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.555 -0.293 . . . . 2.46 110.878 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.476 ' CD1' ' HH2' ' A' ' 22' ' ' TRP . 20.4 t90 -67.94 -34.03 75.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.44 -0.346 . . . . 2.64 110.153 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -50.42 74.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 2.86 110.262 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HA ' HE21 ' A' ' 100' ' ' GLN . 16.9 tp10 -60.71 -49.47 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 3.03 110.361 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.21 -42.07 85.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.797 -0.638 . . . . 2.38 111.049 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -61.23 -48.67 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.131 -0.322 . . . . 4.07 110.131 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.408 HE21 ' HA ' ' A' ' 97' ' ' GLU . 32.5 mt-30 -56.17 -52.01 65.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.391 . . . . 3.33 110.386 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.23 -46.84 82.61 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.256 -0.429 . . . . 2.59 110.575 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.39 78.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 2.24 110.954 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 2.56 110.873 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.89 91.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.275 -0.421 . . . . 2.74 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -42.51 98.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 4.42 110.656 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.36 -35.24 91.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.082 -0.58 . . . . 3.27 112.241 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.689 0.28 . . . . 4.07 110.747 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m80 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.098 0.475 . . . . 4.11 109.865 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -60.19 -42.81 95.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.717 -0.674 . . . . 3.73 110.068 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 73' ' ' LEU . 44.2 t80 -48.9 -51.17 31.47 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.425 -0.352 . . . . 1.14 110.978 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -48.59 -50.41 32.59 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.531 -0.468 . . . . 2.77 109.908 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.434 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -60.71 -48.91 79.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.889 -0.596 . . . . 4.35 110.087 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.51 -42.84 64.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.363 . . . . 2.1 110.398 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 4.7 tpt -59.58 -58.42 8.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 2.23 110.125 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.13 -44.59 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.741 -0.466 . . . . 2.46 109.741 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.434 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 3.7 m-20 -54.52 -50.06 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 2.49 110.683 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 13.2 pt-20 -62.33 -54.43 40.67 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.832 -0.433 . . . . 3.07 109.832 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.606 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -48.3 -40.52 25.28 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.486 -0.561 . . . . 2.5 109.486 178.366 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.24 90.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.962 -0.563 . . . . 1.59 109.861 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.643 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 22.1 t90 -48.77 -45.04 39.35 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 110.325 -0.25 . . . . 2.24 110.325 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 94' ' ' HIS . 71.3 mt -52.33 -60.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.03 0.443 . . . . 1.92 110.315 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -53.9 -37.92 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 3.58 110.826 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -51.1 70.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.123 -0.49 . . . . 3.45 110.547 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HG2' HD21 ' A' ' 98' ' ' LEU . 28.8 tptt -59.52 -48.72 80.58 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.573 -0.528 . . . . 2.77 109.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG3' HD12 ' A' ' 98' ' ' LEU . 32.0 mttt -49.48 -47.61 48.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.19 -0.459 . . . . 3.62 110.186 178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -37.52 84.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.008 -0.542 . . . . 3.19 110.154 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.89 82.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 3.08 110.553 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 t -54.05 -48.94 63.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 2.48 110.687 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 p -51.12 -34.47 30.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.121 -0.491 . . . . 3.01 110.628 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -40.61 25.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 3.19 111.001 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 1.144 ' OE2' ' NH1' ' A' ' 51' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 4.37 110.465 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 121.036 0.446 . . . . 4.24 110.811 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.61 68.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 3.83 110.365 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -56.64 10.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.69 -0.485 . . . . 4.27 109.69 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -53.03 -38.74 62.64 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.14 -0.482 . . . . 5.49 110.033 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -55.51 32.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 4.3 109.927 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -54.5 -45.72 73.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 4.17 109.929 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CE1' ' OE2' ' A' ' 53' ' ' GLU . 75.6 t60 -52.63 -49.89 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 3.6 110.515 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -44.97 51.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.349 -0.387 . . . . 3.17 110.397 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 1.144 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 17.7 ttp180 -67.19 -36.67 82.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 4.13 110.178 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.86 -45.92 90.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.851 -0.613 . . . . 2.9 110.187 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.823 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -50.49 -54.69 20.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.898 -0.408 . . . . 3.17 109.898 179.01 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.65 63.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.991 -0.55 . . . . 1.35 109.974 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 6.0 mt-10 -49.71 -54.58 17.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 2.6 110.367 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.52 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 51.9 mt -55.24 -34.57 64.1 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.962 -0.563 . . . . 2.67 111.737 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -68.79 -31.59 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 1.37 111.78 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.65 -19.66 60.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.326 0.491 . . . . 1.43 112.326 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.643 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 43.6 m80 -63.79 -41.99 97.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.371 . . . . 2.61 110.886 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 8.4 tp10 -58.64 -61.64 7.27 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 3.01 110.705 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 19.7 Cg_endo -60.06 -46.61 18.3 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.608 2.206 . . . . 1.6 113.551 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.26 69.63 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.301 0.852 . . . . 1.31 113.301 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 59' ' ' HIS . 86.7 mt -80.24 -41.8 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.03 -0.268 . . . . 1.08 111.692 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -52.78 -50.67 63.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 121.25 -0.18 . . . . 3.27 110.756 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.45 -48.92 8.59 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 120.506 -0.854 . . . . 1.14 111.868 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.418 HG21 ' OE1' ' A' ' 19' ' ' GLU . 17.2 t -59.69 -55.13 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 1.46 110.754 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.55 -49.18 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 2.13 110.929 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.13 -51.15 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 2.24 110.907 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.5 m -60.69 -47.02 88.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.954 -0.298 . . . . 1.02 110.415 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.31 -40.86 92.57 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.624 -0.798 . . . . 0.79 112.299 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -58.55 -43.17 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.762 -0.459 . . . . 3.25 109.762 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -47.66 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.725 -0.671 . . . . 3.71 109.577 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.438 HD12 ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -49.31 -45.75 45.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.668 -0.696 . . . . 1.52 110.292 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -54.19 -57.2 12.05 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.062 -0.517 . . . . 1.76 111.067 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.94 -32.7 66.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 2.34 110.978 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.67 -25.75 38.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 2.89 111.238 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.94 84.02 2.19 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.364 -0.38 . . . . 4.42 110.869 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -54.16 38.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 4.87 110.506 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 tp -95.61 104.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 4.56 110.578 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.34 -31.5 2.51 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.95 -0.643 . . . . 2.87 112.17 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -47.34 -39.27 14.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.509 0.195 . . . . 4.4 111.423 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -51.81 -51.63 55.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 3.0 111.113 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -52.42 -53.25 47.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.906 0.384 . . . . 2.94 110.351 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.2 mt -54.66 -47.95 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 2.47 110.85 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -54.17 -44.18 71.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 3.13 110.292 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 2.0 tp-100 -60.08 -48.97 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.015 -0.365 . . . . 3.09 110.015 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -57.59 -50.03 74.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 4.43 110.486 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.7 tt -58.14 -40.72 82.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.9 110.158 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.63 -34.37 64.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.951 -0.568 . . . . 0.97 110.71 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -67.05 -45.2 78.12 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.778 -0.452 . . . . 2.72 109.778 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 23' ' ' ILE . 34.5 t80 -52.94 -49.42 66.07 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.151 -0.477 . . . . 1.19 109.795 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 88' ' ' LEU . 1.3 t -56.08 -50.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.997 -0.547 . . . . 1.37 110.32 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 8.1 t70 -52.23 -47.86 65.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 1.71 109.896 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.615 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.3 t-160 -52.19 -58.56 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 2.46 109.961 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -55.08 -41.93 72.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.353 -0.385 . . . . 2.64 110.39 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -50.99 -48.11 61.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.279 -0.419 . . . . 2.86 109.972 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -39.87 91.38 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.643 -0.503 . . . . 3.03 109.643 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.497 HD21 ' HG2' ' A' ' 26' ' ' LYS . 6.1 tt -56.5 -42.53 78.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.588 . . . . 2.38 110.19 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -55.39 -55.54 30.46 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.257 -0.645 . . . . 4.07 109.257 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -52.56 29.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 3.33 109.854 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.88 -50.08 47.21 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 116.124 -0.489 . . . . 2.59 110.292 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.91 73.82 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.048 -0.524 . . . . 2.24 110.46 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.42 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.971 -0.559 . . . . 2.56 110.029 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.36 69.85 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.885 -0.598 . . . . 2.74 110.157 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.66 71.22 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.245 -0.65 . . . . 4.42 109.245 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.61 -37.57 61.38 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.984 -0.626 . . . . 3.27 111.95 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.038 0.447 . . . . 4.07 109.893 179.324 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.925 0.393 . . . . 4.11 110.683 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -67.64 -40.62 84.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 3.73 109.558 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CE2' HD22 ' A' ' 73' ' ' LEU . 35.8 t80 -47.48 -46.9 27.52 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.026 -0.534 . . . . 1.14 109.984 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CE2' HG13 ' A' ' 84' ' ' ILE . 14.9 m-85 -50.94 -51.82 48.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.611 -0.436 . . . . 2.77 110.161 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -61.8 -51.2 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 4.35 111.258 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 16' ' ' MET . 6.2 p30 -59.81 -35.12 74.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.202 -0.599 . . . . 2.1 111.4 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.443 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.5 ttp -65.29 -53.24 47.02 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.866 0.365 . . . . 2.23 110.317 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.3 -48.92 70.75 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.0 -0.546 . . . . 2.46 110.339 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.09 -49.52 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 2.49 110.438 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 1.099 ' OE2' HD13 ' A' ' 63' ' ' ILE . 2.9 tm-20 -61.76 -59.22 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.965 0.412 . . . . 3.07 110.216 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 1.496 ' OE1' ' CD2' ' A' ' 91' ' ' PHE . 1.2 tp10 -50.37 -35.15 26.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.392 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.12 -43.51 91.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.634 -0.506 . . . . 1.59 109.634 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.406 ' CZ2' ' HD2' ' A' ' 26' ' ' LYS . 59.2 t90 -62.37 -43.82 97.92 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.036 -0.529 . . . . 2.24 110.16 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.524 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -59.57 -50.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.146 -0.479 . . . . 1.92 110.404 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 36.9 mtmm -57.95 -47.95 81.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.78 0.324 . . . . 3.58 111.142 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.08 -43.78 95.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.352 -0.385 . . . . 3.45 110.959 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -67.99 -46.25 71.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.013 -0.54 . . . . 2.77 110.733 -179.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -54.99 -40.12 69.74 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.63 -0.507 . . . . 3.62 109.63 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.41 -43.9 92.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.916 -0.584 . . . . 3.19 110.026 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -44.62 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 3.08 110.276 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.32 -43.95 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 2.48 110.629 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -54.21 -36.85 63.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.379 -0.373 . . . . 3.01 110.485 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -73.61 -47.19 42.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 3.19 110.155 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.701 ' OE1' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.578 -0.737 . . . . 4.37 111.16 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.931 0.396 . . . . 4.24 110.408 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.57 -47.93 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.575 . . . . 3.83 110.449 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD21 ' OE1' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -61.61 -47.41 85.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.067 -0.515 . . . . 4.27 110.054 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -52.69 -43.48 65.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 5.49 110.331 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -53.24 -51.69 61.38 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.995 0.426 . . . . 4.3 110.149 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.03 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.773 -0.649 . . . . 4.17 110.398 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -56.02 -38.15 70.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.902 -0.59 . . . . 3.6 110.697 179.631 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -51.59 -46.17 63.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.318 -0.401 . . . . 3.17 110.72 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -62.74 -42.9 99.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 4.13 109.669 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -52.12 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.602 -0.726 . . . . 2.9 110.293 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -51.07 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.032 -0.531 . . . . 3.17 110.602 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.11 67.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.996 0.427 . . . . 1.35 110.34 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -52.18 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 2.6 110.045 178.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.426 ' HG ' ' CH2' ' A' ' 95' ' ' TRP . 2.4 tp -49.2 -37.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.547 -0.751 . . . . 2.67 111.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 1.37 111.464 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.0 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.43 111.912 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.558 ' O ' HG12 ' A' ' 63' ' ' ILE . 6.6 m-70 -63.67 -45.17 91.35 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.74 -0.384 . . . . 2.61 111.124 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.536 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -38.68 -64.35 0.49 Allowed Pre-proline 0 N--CA 1.466 0.356 0 C-N-CA 121.009 -0.277 . . . . 3.01 110.595 -178.45 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 73.0 Cg_exo -44.96 -44.94 14.51 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.458 2.106 . . . . 1.6 112.566 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.57 45.2 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.552 0.575 . . . . 1.31 112.552 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 1.099 HD13 ' OE2' ' A' ' 19' ' ' GLU . 1.4 mm -76.05 -49.86 24.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.591 0.234 . . . . 1.08 110.554 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -58.74 -52.36 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.528 -0.545 . . . . 3.27 109.528 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.44 -50.03 30.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.598 -0.81 . . . . 1.14 111.721 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -54.71 -54.94 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.46 110.229 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tt -49.17 -53.36 21.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 2.13 110.64 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.838 ' OD1' ' N ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -52.6 -50.45 63.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.362 -0.381 . . . . 2.24 110.811 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.838 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.9 m -58.89 -47.66 84.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.806 0.336 . . . . 1.02 110.683 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.92 -40.0 64.05 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.718 -0.753 . . . . 0.79 111.964 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -40.11 69.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.977 0.418 . . . . 3.25 109.932 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -65.75 -48.93 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 3.71 109.778 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 ' CE2' ' A' ' 12' ' ' PHE . 7.3 mp -48.05 -42.65 28.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 1.52 110.305 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 m -50.61 -56.04 13.59 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.081 -0.509 . . . . 1.76 110.471 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.519 . . . . 2.34 110.832 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.79 -30.54 68.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.983 -0.553 . . . . 2.89 110.933 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 10.5 t-20 56.81 -125.15 1.87 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.13 -0.486 . . . . 4.42 111.367 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.416 ' CB ' ' HZ1' ' A' ' 81' ' ' LYS . 3.9 m 66.76 61.6 0.53 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.013 0.435 . . . . 4.87 111.478 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 80' ' ' GLY . 4.0 mp 38.53 -108.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 115.66 -0.7 . . . . 4.56 112.419 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.514 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -14.95 -57.8 0.01 OUTLIER Glycine 0 CA--C 1.527 0.834 0 N-CA-C 115.959 1.144 . . . . 2.87 115.959 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 13.0 mttp -47.22 -33.93 5.9 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.027 0.751 . . . . 4.4 113.027 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -54.16 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 3.0 110.528 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.08 -47.69 65.06 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.705 -0.479 . . . . 2.94 109.705 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.437 HG13 ' CE2' ' A' ' 13' ' ' PHE . 3.4 mm -55.86 -49.32 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 2.47 110.015 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -51.54 48.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 3.13 110.55 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.378 -0.374 . . . . 3.09 110.464 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -59.18 -47.5 85.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 4.43 110.529 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.2 -42.72 77.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 1.9 110.348 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.12 76.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 0.97 110.565 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -71.62 -38.36 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.448 -0.575 . . . . 2.72 109.448 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 1.496 ' CD2' ' OE1' ' A' ' 20' ' ' GLU . 14.4 t80 -56.11 -49.51 73.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.332 -0.618 . . . . 1.19 109.332 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t -51.93 -52.61 21.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.221 -0.445 . . . . 1.37 110.265 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 1.1 t70 -50.04 -54.78 18.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.143 0.497 . . . . 1.71 109.949 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.79 -53.78 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.25 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.426 ' CH2' ' HG ' ' A' ' 56' ' ' LEU . 66.3 t-105 -51.56 -45.64 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 2.64 110.312 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.63 -52.46 55.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.724 . . . . 2.86 111.179 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -45.54 86.75 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.792 0.33 . . . . 3.03 110.74 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -47.13 87.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 2.38 110.684 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -46.66 81.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 4.07 110.036 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.422 ' NE2' ' N ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -54.45 -55.37 29.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 3.33 109.892 178.653 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' N ' ' NE2' ' A' ' 100' ' ' GLN . 0.4 OUTLIER -50.24 -48.18 54.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.506 . . . . 2.59 110.594 179.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.85 74.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 2.24 110.635 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.22 66.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 2.56 110.668 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.0 94.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.492 . . . . 2.74 110.472 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.62 ' NH2' HD12 ' A' ' 45' ' ' LEU . 16.1 mmt180 -60.64 -33.52 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 4.42 110.988 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.69 -30.49 63.92 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.78 -0.724 . . . . 3.27 112.0 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.763 0.316 . . . . 4.07 110.815 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 120.822 0.344 . . . . 4.11 110.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.721 ' H ' ' NE2' ' A' ' 11' ' ' GLN . 2.4 mp0 -58.99 -55.57 33.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 3.73 110.251 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' CD2' HD22 ' A' ' 73' ' ' LEU . 20.1 t80 -50.39 -47.35 56.4 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.79 -0.448 . . . . 1.14 109.79 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.83 -54.15 42.44 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.305 -0.628 . . . . 2.77 109.305 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.538 ' NH2' ' HB3' ' A' ' 17' ' ' ASP . 3.1 tpm_? -50.79 -55.63 15.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 4.35 110.207 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.29 -51.13 47.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.892 0.377 . . . . 2.1 110.115 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -50.7 60.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.173 0.511 . . . . 2.23 110.025 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' NH2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -53.24 -56.82 13.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 2.46 110.173 179.016 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -53.47 -36.5 61.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.974 0.416 . . . . 2.49 110.245 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 29.6 tt0 -63.56 -59.82 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 3.07 109.607 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' CB ' HH22 ' A' ' 87' ' ' ARG . 9.1 tp10 -45.49 -42.49 10.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.629 -0.878 . . . . 2.5 108.629 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -53.34 56.0 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.344 -0.844 . . . . 1.59 109.241 178.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 11.2 t90 -50.74 -41.08 56.11 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.879 -0.6 . . . . 2.24 110.532 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -57.11 -48.86 81.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-O 120.991 0.424 . . . . 1.92 109.93 179.163 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.428 ' N ' HG22 ' A' ' 23' ' ' ILE . 14.1 mmtm -60.11 -45.43 93.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.08 0.467 . . . . 3.58 109.835 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -37.4 83.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.711 -0.677 . . . . 3.45 110.315 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -61.84 -55.5 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.69 -0.687 . . . . 2.77 109.224 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -41.64 63.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.07 0.462 . . . . 3.62 110.232 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.65 -45.1 81.8 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.018 -0.537 . . . . 3.19 110.829 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.03 -49.01 72.65 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.029 0.443 . . . . 3.08 110.014 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 48' ' ' LYS . 58.7 t -54.58 -36.64 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.75 -0.659 . . . . 2.48 110.608 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -24.13 58.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 3.01 111.38 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.2 m -81.09 -44.0 18.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.062 0.393 . . . . 3.19 112.062 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -77.75 50.37 0.84 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.4 0.519 . . . . 4.37 112.4 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.9 -45.66 0.79 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.859 0.361 . . . . 4.85 111.153 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.05 118.03 7.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 9.52 111.285 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.04 50.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.824 -0.703 . . . . 4.85 112.58 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' HE ' ' CG ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER 71.32 118.7 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.763 0.316 . . . . 7.28 111.022 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -39.39 -53.18 2.03 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.275 -0.42 . . . . 5.96 112.09 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tt -40.43 -42.9 1.69 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.039 0.385 . . . . 5.47 112.039 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.3 m -92.69 -28.13 16.84 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.887 -0.142 . . . . 4.22 111.038 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.3 -44.75 1.69 Allowed Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.869 -0.682 . . . . 4.04 112.408 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 43' ' ' GLN . 4.9 p -55.46 -55.84 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.956 0.408 . . . . 4.39 110.551 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.558 ' N ' HG13 ' A' ' 42' ' ' VAL . 59.6 mm-40 -63.68 -25.34 68.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.23 -0.441 . . . . 4.24 110.33 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.576 ' O ' ' HG3' ' A' ' 47' ' ' LYS . 19.3 t-20 -69.67 -41.62 75.24 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.011 -0.541 . . . . 3.83 110.148 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.1 mt -62.62 -50.21 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.35 -0.611 . . . . 4.27 109.35 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -56.56 -45.2 81.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 5.49 110.825 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 44' ' ' ASN . 0.6 OUTLIER -65.68 -37.68 87.15 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.758 0.313 . . . . 4.3 110.192 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.693 ' HD2' HG13 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -60.45 -49.27 78.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 4.17 109.856 179.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -49.69 -55.46 13.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.186 -0.461 . . . . 3.6 110.514 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -48.97 52.54 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.333 -0.394 . . . . 3.17 110.81 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 HH21 ' CD ' ' A' ' 55' ' ' GLU . 10.3 ttp180 -65.23 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 4.13 110.405 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.23 -48.13 79.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 2.9 110.525 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -55.94 -52.45 64.09 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.953 -0.299 . . . . 3.17 110.243 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.5 75.13 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.041 0.448 . . . . 1.35 109.915 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.411 ' CD ' HH21 ' A' ' 51' ' ' ARG . 19.9 mt-10 -52.31 -56.88 11.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.566 -0.743 . . . . 2.6 110.553 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -40.86 14.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.946 -0.57 . . . . 2.67 111.656 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.35 65.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 1.37 110.889 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.06 -26.35 33.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 1.43 112.079 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.829 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.7 m80 -76.32 -24.12 54.31 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.818 -0.173 . . . . 2.61 111.183 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.563 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -65.21 -61.02 6.69 Favored Pre-proline 0 C--N 1.331 -0.208 0 N-CA-C 110.108 -0.33 . . . . 3.01 110.108 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.563 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 52.5 Cg_exo -56.07 -39.92 88.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.394 2.063 . . . . 1.6 111.834 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.68 -57.64 11.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.916 -0.583 . . . . 1.31 111.386 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.829 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.4 mt -62.4 -45.49 98.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 1.08 110.907 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.51 77.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 3.27 110.508 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.18 -50.89 12.16 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.876 -0.678 . . . . 1.14 111.893 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 67' ' ' LEU . 1.1 t -61.32 -47.19 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.067 0.46 . . . . 1.46 109.977 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -50.0 -52.11 36.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 2.13 110.581 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -56.55 -49.22 75.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.354 -0.385 . . . . 2.24 110.125 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -53.1 -48.49 67.75 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.346 -0.388 . . . . 1.02 110.159 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.4 -46.06 73.76 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.564 -0.827 . . . . 0.79 111.507 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -42.5 65.69 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.424 -0.584 . . . . 3.25 109.424 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -54.43 46.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.814 -0.63 . . . . 3.71 109.616 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD22 ' CD2' ' A' ' 12' ' ' PHE . 8.3 mp -43.88 -44.96 7.28 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-N 115.841 -0.618 . . . . 1.52 110.051 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.406 ' HA ' ' HG2' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -53.11 -57.64 9.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.737 -0.665 . . . . 1.76 110.58 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -25.57 66.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.118 -0.492 . . . . 2.34 111.364 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.57 -13.18 30.08 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.544 0.572 . . . . 2.89 112.544 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -153.1 -59.0 0.14 Allowed 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.386 0.513 . . . . 4.42 112.386 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 70.85 -70.33 0.16 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.404 0.44 . . . . 4.87 110.464 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.9 mt -57.72 93.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.23 0.054 0 CA-C-N 115.89 -0.595 . . . . 4.56 110.472 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.94 -61.59 0.66 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.651 -0.979 . . . . 2.87 110.651 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HG2' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.82 -32.5 8.85 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.679 0.276 . . . . 4.4 110.922 179.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.13 -41.11 12.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.696 0.284 . . . . 3.0 110.95 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -62.28 -43.36 99.0 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.956 0.407 . . . . 2.94 110.578 179.534 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' H ' ' HG3' ' A' ' 83' ' ' GLU . 17.7 mt -60.13 -42.27 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 2.47 109.892 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -50.15 -48.42 53.84 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.646 -0.502 . . . . 3.13 109.646 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.55 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 8.9 tt0 -53.02 -50.1 64.92 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.13 -0.486 . . . . 3.09 110.015 178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.474 HH22 ' CB ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -58.96 -46.85 87.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.1 -0.5 . . . . 4.43 109.893 179.077 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.42 -29.61 67.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.925 -0.579 . . . . 1.9 109.982 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 86' ' ' GLN . . . -55.15 -32.86 62.44 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 109.844 -0.428 . . . . 0.97 109.844 179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' A' ' 94' ' ' HIS . 0.9 OUTLIER -65.34 -43.92 89.39 Favored 'General case' 0 N--CA 1.461 0.117 0 N-CA-C 109.423 -0.584 . . . . 2.72 109.423 178.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.801 ' CE2' HG23 ' A' ' 63' ' ' ILE . 7.8 t80 -52.21 -54.04 35.87 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.51 -0.768 . . . . 1.19 110.219 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 92' ' ' VAL . 3.7 t -57.27 -49.75 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.745 -0.661 . . . . 1.37 110.071 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -49.45 61.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.544 . . . . 1.71 110.549 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.447 ' CG ' ' NE2' ' A' ' 90' ' ' GLN . 0.1 OUTLIER -55.6 -53.79 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.339 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -55.52 -43.82 76.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.917 -0.583 . . . . 2.64 110.262 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -52.03 50.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 2.86 110.399 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -47.04 82.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.145 0.498 . . . . 3.03 110.273 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.53 -47.16 73.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.771 -0.65 . . . . 2.38 110.488 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -52.07 66.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 4.07 110.313 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.49 ' HG2' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -53.4 -47.87 69.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.962 -0.563 . . . . 3.33 110.604 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.49 ' N ' ' HG2' ' A' ' 100' ' ' GLN . 0.6 OUTLIER -57.85 -49.61 76.08 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.505 -0.316 . . . . 2.59 110.6 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.73 -45.93 77.89 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.347 -0.388 . . . . 2.24 110.866 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.35 76.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.187 -0.46 . . . . 2.56 110.663 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.61 -49.46 72.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 2.74 110.32 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -53.38 -48.86 68.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.819 -0.628 . . . . 4.42 110.775 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.33 -44.63 89.57 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.896 -0.668 . . . . 3.27 112.333 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 120.625 0.25 . . . . 4.07 111.024 179.874 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 120.743 0.306 . . . . 4.11 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.66 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -61.11 -38.69 87.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.928 -0.397 . . . . 3.73 109.928 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' A' ' 73' ' ' LEU . 68.4 t80 -51.08 -49.22 61.09 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.272 -0.422 . . . . 1.14 110.055 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' CZ ' ' NH2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -49.11 -53.37 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.74 0.305 . . . . 2.77 110.534 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -47.19 86.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.312 -0.404 . . . . 4.35 110.432 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.66 ' OD2' ' O ' ' A' ' 11' ' ' GLN . 14.5 m-20 -55.65 -45.82 77.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 2.1 110.288 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.489 ' SD ' ' HG2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.07 -54.24 42.11 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.729 -0.471 . . . . 2.23 109.729 179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -54.54 -51.58 64.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.882 -0.599 . . . . 2.46 109.693 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.05 -45.46 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 2.49 110.437 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' CE2' ' A' ' 91' ' ' PHE . 5.7 tp10 -64.73 -60.24 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.744 -0.465 . . . . 3.07 109.744 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.4 -33.33 5.85 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 121.156 0.503 . . . . 2.5 109.788 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -42.41 91.63 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.888 -0.596 . . . . 1.59 109.793 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.638 ' CE3' ' NE2' ' A' ' 59' ' ' HIS . 20.2 t90 -47.84 -47.65 31.34 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.001 -0.74 . . . . 2.24 109.001 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' HA ' ' CE3' ' A' ' 22' ' ' TRP . 27.2 mt -49.88 -56.25 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.171 0 N-CA-C 109.081 -0.711 . . . . 1.92 109.081 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -48.03 -46.83 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.294 -0.866 . . . . 3.58 111.186 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.33 -51.46 69.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.062 -0.517 . . . . 3.45 111.232 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -63.22 -41.42 99.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 2.77 110.034 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.57 -46.09 66.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.876 0.37 . . . . 3.62 110.167 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.8 tm? -56.35 -45.6 80.36 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.284 -0.416 . . . . 3.19 110.329 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.516 HD11 ' HD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -58.17 -44.86 88.16 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.064 -0.516 . . . . 3.08 110.474 179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 26' ' ' LYS . 33.8 t -54.33 -42.4 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 2.48 110.078 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.87 -39.1 71.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.7 -0.682 . . . . 3.01 110.314 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -66.28 -57.34 7.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.708 -0.678 . . . . 3.19 110.061 179.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 32' ' ' SER . 11.6 mm-40 135.95 -49.35 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 O-C-N 124.618 1.199 . . . . 4.37 110.151 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.892 ' OD1' ' HB2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -166.1 156.41 12.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 4.85 111.107 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.516 ' HD1' HD11 ' A' ' 29' ' ' LEU . 1.7 t80 -56.02 110.77 0.79 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.957 -0.565 . . . . 9.52 110.501 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.48 54.52 31.99 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.616 -0.802 . . . . 4.85 112.239 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.892 ' HB2' ' OD1' ' A' ' 34' ' ' ASP . 5.0 tmm_? -58.51 133.67 56.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.91 0.386 . . . . 7.28 111.086 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 1.2 t70 -115.59 -6.78 12.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.615 -0.72 . . . . 5.96 110.011 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER 88.51 42.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.523 -0.762 . . . . 5.47 111.334 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 43' ' ' GLN . 1.4 t -133.27 113.16 12.31 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.861 -0.609 . . . . 4.22 109.412 178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.56 -60.76 7.44 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.021 -0.609 . . . . 4.04 114.222 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.628 HG23 ' H ' ' A' ' 43' ' ' GLN . 13.1 m -54.2 -61.0 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 113.673 0.99 . . . . 4.39 113.673 -177.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.628 ' H ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -58.87 -43.34 90.84 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.943 -0.303 . . . . 4.24 111.568 -178.712 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 37' ' ' ARG . 12.3 m120 -65.1 -35.62 81.7 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.815 -0.354 . . . . 3.83 110.584 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.51 -53.0 58.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.641 -0.504 . . . . 4.27 109.641 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -52.04 -40.52 61.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.014 -0.539 . . . . 5.49 110.603 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -66.99 -45.34 77.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 4.3 110.63 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' NZ ' ' HB3' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -63.52 -36.75 84.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.97 -0.559 . . . . 4.17 110.326 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -63.2 -53.49 52.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.765 -0.652 . . . . 3.6 110.59 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -41.71 77.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.288 -0.415 . . . . 3.17 110.966 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -65.63 -46.92 77.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 4.13 110.137 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.33 -46.18 83.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.025 -0.534 . . . . 2.9 110.681 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' HA ' HD23 ' A' ' 56' ' ' LEU . 43.2 tt0 -56.59 -51.42 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.377 -0.374 . . . . 3.17 110.976 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.62 95.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.223 0.535 . . . . 1.35 110.104 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 59' ' ' HIS . 1.6 tp10 -58.09 -53.63 56.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 2.6 111.47 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -61.83 -37.94 86.34 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.926 0.343 . . . . 2.67 111.926 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 56' ' ' LEU . . . -58.93 -47.85 83.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.475 -0.33 . . . . 1.37 111.856 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.6 -35.5 39.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.605 0.594 . . . . 1.43 112.605 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.638 ' NE2' ' CE3' ' A' ' 22' ' ' TRP . 0.0 OUTLIER -66.03 -33.62 76.22 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.935 0.717 . . . . 2.61 112.935 -178.264 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.574 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -59.87 -62.98 4.79 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 119.655 -0.818 . . . . 3.01 110.16 -179.401 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.574 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 27.9 Cg_exo -63.43 -41.96 23.92 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.201 1.934 . . . . 1.6 112.33 178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -61.25 -55.59 30.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.931 -0.577 . . . . 1.31 112.51 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.582 HD11 ' CD2' ' A' ' 59' ' ' HIS . 65.8 mt -68.08 -45.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.708 -0.224 . . . . 1.08 111.069 -178.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -53.29 -51.98 60.56 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.884 -0.413 . . . . 3.27 109.884 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.9 -45.54 19.18 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.664 -0.779 . . . . 1.14 111.485 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' ALA . 25.6 t -57.15 -57.97 7.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.018 0.437 . . . . 1.46 110.009 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.836 HD22 HD12 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -49.39 -50.19 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 2.13 110.347 179.147 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.48 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 2.24 110.744 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 m -56.3 -46.03 79.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 1.02 110.144 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.67 -45.81 54.36 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.809 -0.71 . . . . 0.79 111.962 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -43.47 74.93 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.088 0.471 . . . . 3.25 109.86 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpp -62.15 -49.9 74.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.896 -0.593 . . . . 3.71 109.653 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 12' ' ' PHE . 3.8 mp -46.19 -40.54 11.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.758 -0.655 . . . . 1.52 110.383 178.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.481 ' HA ' ' CB ' ' A' ' 81' ' ' LYS . 2.6 m -58.76 -53.3 59.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.775 -0.648 . . . . 1.76 110.944 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -34.92 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.063 -0.517 . . . . 2.34 111.238 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -73.67 -37.21 65.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 2.89 111.593 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 80' ' ' GLY . 6.1 t30 -84.05 157.58 21.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.149 0.499 . . . . 4.42 111.998 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 p -79.81 -66.09 0.92 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.666 -0.697 . . . . 4.87 111.163 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.0 pt -123.7 -49.67 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.247 -0.433 . . . . 4.56 111.692 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' N ' ' ND2' ' A' ' 77' ' ' ASN . . . -31.22 -32.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.574 0 N-CA-C 114.512 0.565 . . . . 2.87 114.512 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -48.43 -32.34 7.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.914 0.357 . . . . 4.4 111.944 -179.781 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -50.41 -49.96 53.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.311 . . . . 3.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -58.6 -48.46 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 2.94 110.034 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.405 HD13 HH21 ' A' ' 87' ' ' ARG . 14.7 mm -54.35 -46.06 69.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.641 . . . . 2.47 110.555 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -48.3 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 3.13 110.799 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -59.98 -44.56 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.376 . . . . 3.09 110.142 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.489 ' HG2' ' SD ' ' A' ' 16' ' ' MET . 20.6 ttp85 -59.48 -51.7 68.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 4.43 110.82 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.836 HD12 HD22 ' A' ' 67' ' ' LEU . 4.0 mm? -58.24 -44.33 88.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 1.9 110.245 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -33.12 74.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.97 110.249 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.48 -47.28 79.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.756 -0.656 . . . . 2.72 109.686 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' HG3' ' A' ' 19' ' ' GLU . 3.9 t80 -49.07 -50.88 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.669 -0.696 . . . . 1.19 110.168 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' ' 92' ' ' VAL . 2.5 t -53.53 -56.12 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.37 110.458 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.753 ' OD1' ' C ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.85 -49.27 49.74 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.846 -0.427 . . . . 1.71 109.846 179.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.587 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 31.2 m170 -52.08 -58.34 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 2.46 110.752 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -54.14 -40.51 67.48 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.473 -0.33 . . . . 2.64 110.946 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.495 ' HG3' HE22 ' A' ' 100' ' ' GLN . 0.0 OUTLIER -56.38 -49.66 73.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 2.86 110.791 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' N ' ' HG2' ' A' ' 96' ' ' LYS . 3.9 mm-40 -63.17 -39.51 94.86 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.993 0.425 . . . . 3.03 110.378 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.5 tp -58.8 -45.42 89.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.613 . . . . 2.38 110.353 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.34 -52.34 65.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 4.07 109.957 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.495 HE22 ' HG3' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -53.13 -53.18 54.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.162 -0.472 . . . . 3.33 110.369 178.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.4 mt -51.92 -48.11 64.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.375 -0.375 . . . . 2.59 110.776 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.11 -46.9 78.96 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.242 -0.435 . . . . 2.24 110.838 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -45.04 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 2.56 110.588 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.65 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 2.74 110.682 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -49.75 -44.44 48.6 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.799 -0.445 . . . . 4.42 109.799 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.59 -37.63 95.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 110.772 -0.931 . . . . 3.27 110.772 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-O 121.174 0.511 . . . . 4.07 109.63 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.58 0.229 . . . . 4.11 110.928 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.7 -45.62 81.69 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 110.152 -0.314 . . . . 3.73 110.152 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -50.47 -48.01 56.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.86 0.362 . . . . 1.14 110.073 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -48.1 74.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.656 -0.498 . . . . 2.77 109.656 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -57.25 -50.35 73.16 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.009 -0.541 . . . . 4.35 110.095 179.048 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.17 -50.48 61.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.961 0.41 . . . . 2.1 110.033 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -54.5 -56.33 19.9 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.987 -0.551 . . . . 2.23 110.636 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.45 -41.17 76.05 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.107 -0.497 . . . . 2.46 110.264 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.453 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -54.73 -46.37 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 2.49 110.068 179.319 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.502 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 6.7 mt-10 -57.38 -60.25 3.92 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.642 -0.503 . . . . 3.07 109.642 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.565 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.1 tp10 -45.73 -45.39 14.4 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.663 -0.495 . . . . 2.5 109.663 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.64 -47.49 40.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.003 -0.544 . . . . 1.59 110.81 178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 49.0 t90 -45.72 -45.57 14.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.683 -0.235 . . . . 2.24 111.505 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 20' ' ' GLU . 3.5 mt -54.2 -53.79 26.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.88 0.371 . . . . 1.92 110.528 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HZ3' ' CD ' ' A' ' 25' ' ' GLU . 6.4 ttpm? -55.45 -47.75 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.943 -0.571 . . . . 3.58 111.081 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.438 ' CD ' ' HZ3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.91 -37.05 85.43 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.042 -0.526 . . . . 3.45 110.721 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.2 -50.49 67.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 2.77 109.842 179.317 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.53 -47.89 19.46 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.74 -0.467 . . . . 3.62 109.74 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -63.75 -42.2 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.839 -0.618 . . . . 3.19 110.286 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.61 -37.44 73.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.751 -0.659 . . . . 3.08 110.934 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 26' ' ' LYS . 38.7 t -55.41 -40.14 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.304 -0.407 . . . . 2.48 110.945 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 p -74.16 -24.71 59.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 3.01 111.452 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 11.7 p -77.99 -44.79 25.61 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.448 -0.342 . . . . 3.19 111.329 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.678 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 3.0 mm-40 76.51 13.78 2.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.914 -0.584 . . . . 4.37 111.327 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.678 ' CG ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER 66.85 129.54 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.256 0.55 . . . . 4.85 111.592 179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.499 ' O ' ' C ' ' A' ' 36' ' ' GLY . 2.9 p90 -46.03 -40.09 10.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.237 -0.892 . . . . 9.52 112.965 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 35' ' ' TYR . . . -19.02 92.57 0.01 OUTLIER Glycine 0 C--N 1.336 0.569 0 O-C-N 123.419 0.449 . . . . 4.85 113.826 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.633 ' O ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER 24.01 54.33 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.256 0.623 . . . . 7.28 112.281 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.868 ' OD1' ' ND2' ' A' ' 44' ' ' ASN . 9.0 t0 -32.76 -48.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.681 0.622 . . . . 5.96 112.681 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -31.69 -43.28 0.06 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.233 0.457 . . . . 5.47 112.233 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 37' ' ' ARG . 3.4 t -85.41 65.16 9.05 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.877 -0.416 . . . . 4.22 109.877 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.93 -47.19 1.84 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 115.963 -0.562 . . . . 4.04 114.011 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.641 HG13 ' H ' ' A' ' 43' ' ' GLN . 5.6 p -55.38 -60.14 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 117.22 0.51 . . . . 4.39 111.791 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.641 ' H ' HG13 ' A' ' 42' ' ' VAL . 1.2 tp-100 -64.73 -23.78 67.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.985 0.422 . . . . 4.24 110.299 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.868 ' ND2' ' OD1' ' A' ' 38' ' ' ASP . 43.9 t-20 -68.02 -44.32 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 3.83 110.134 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.44 -54.35 44.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 4.27 109.862 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -50.89 -42.02 58.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.995 -0.548 . . . . 5.49 111.106 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HZ3' ' HB2' ' A' ' 34' ' ' ASP . 0.6 OUTLIER -66.26 -44.09 84.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.361 . . . . 4.3 110.386 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.22 95.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 4.17 110.389 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CE1' HH21 ' A' ' 105' ' ' ARG . 7.3 t-80 -59.2 -55.55 33.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 3.6 110.542 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -37.32 73.16 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.04 -0.527 . . . . 3.17 110.514 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -61.4 -48.32 81.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 4.13 110.225 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.49 -53.52 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 2.9 110.407 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.91 -48.72 69.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 3.17 111.165 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.49 96.85 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.063 0.458 . . . . 1.35 110.435 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.44 -55.21 37.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.647 -0.706 . . . . 2.6 110.536 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.7 mt -52.37 -41.62 63.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.378 -0.374 . . . . 2.67 111.373 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.24 -51.2 64.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.291 -0.413 . . . . 1.37 110.976 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.73 -28.36 69.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.43 112.036 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 6.0 m-70 -68.81 -47.13 66.85 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 119.571 -0.252 . . . . 2.61 111.013 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.506 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -38.87 -61.97 0.83 Allowed Pre-proline 0 N--CA 1.463 0.19 0 C-N-CA 120.904 -0.318 . . . . 3.01 110.265 -179.493 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 74.2 Cg_exo -42.56 -46.97 7.88 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.152 1.901 . . . . 1.6 112.285 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.55 -23.64 42.69 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.243 0.46 . . . . 1.31 112.243 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 HG23 ' HE1' ' A' ' 91' ' ' PHE . 1.2 mm -72.59 -48.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.252 -0.648 . . . . 1.08 109.252 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.1 -42.74 99.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.795 -0.817 . . . . 3.27 108.795 177.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.52 -49.06 11.78 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.839 -0.619 . . . . 1.14 112.141 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -55.94 -51.8 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.085 0 CA-C-N 117.09 0.445 . . . . 1.46 110.101 179.611 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.553 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -55.52 -51.31 67.44 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.839 -0.43 . . . . 2.13 109.839 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -52.09 27.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.906 -0.588 . . . . 2.24 110.465 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.5 m -60.4 -49.15 78.71 Favored 'General case' 0 C--N 1.334 -0.09 0 N-CA-C 109.588 -0.523 . . . . 1.02 109.588 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.47 -39.27 29.22 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 110.911 -0.876 . . . . 0.79 110.911 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -62.58 -44.28 96.71 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.448 -0.575 . . . . 3.25 109.448 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -59.14 -38.12 78.9 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.943 -0.762 . . . . 3.71 108.943 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.8 -42.9 97.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.625 -1.17 . . . . 1.52 109.965 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 t -64.45 -38.8 92.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.48 -0.782 . . . . 1.76 112.083 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -39.22 -60.83 0.85 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 111.564 0.209 . . . . 2.34 111.564 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.99 -37.18 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 2.89 110.639 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.583 HD22 ' N ' ' A' ' 77' ' ' ASN . 0.9 OUTLIER -77.24 68.27 3.33 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.122 0.487 . . . . 4.42 110.218 179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 p -58.1 -73.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.815 -0.63 . . . . 4.87 111.031 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 pt -94.83 118.74 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.992 -0.549 . . . . 4.56 111.171 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.14 -32.87 3.17 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.131 -0.557 . . . . 2.87 111.847 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -53.68 -21.29 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.062 0.393 . . . . 4.4 112.062 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.92 -44.94 1.76 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.687 0.28 . . . . 3.0 111.259 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -57.64 -52.83 63.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.359 -0.382 . . . . 2.94 110.385 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.2 mt -56.79 -45.51 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 2.47 110.18 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.66 74.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 3.13 110.146 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 86' ' ' GLN . 0.7 OUTLIER -58.05 -49.67 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 3.09 110.064 178.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -57.31 -51.27 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 4.43 111.052 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -61.12 -39.52 90.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 1.9 110.562 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -32.71 73.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.97 110.441 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.87 -49.79 66.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.715 -0.675 . . . . 2.72 109.837 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 34.7 t80 -56.63 -49.76 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.787 -0.642 . . . . 1.19 109.779 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 88' ' ' LEU . 87.4 t -52.19 -51.14 33.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 1.37 110.344 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -52.93 -53.62 46.75 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.681 -0.489 . . . . 1.71 109.681 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -49.08 -55.67 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.52 . . . . 2.46 110.286 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -53.23 -48.28 68.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.68 -0.691 . . . . 2.64 110.447 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.525 -0.762 . . . . 2.86 110.808 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 96' ' ' LYS . 1.5 tt0 -58.18 -49.61 76.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 3.03 110.707 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -57.76 -46.72 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 2.38 110.471 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -59.42 -47.1 86.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.146 -0.479 . . . . 4.07 110.117 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -55.19 -52.68 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.957 -0.565 . . . . 3.33 110.503 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.44 -48.16 74.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.367 -0.379 . . . . 2.59 110.5 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.16 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.191 -0.458 . . . . 2.24 111.243 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.05 94.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.959 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.44 -40.89 92.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 2.74 110.5 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.562 HH21 ' CE1' ' A' ' 49' ' ' HIS . 0.1 OUTLIER -56.9 -50.65 71.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 4.42 110.551 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.22 91.8 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.831 -0.7 . . . . 3.27 112.633 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.592 0.234 . . . . 4.07 110.686 -179.805 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 11' ' ' GLN . 4.4 p-80 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.506 0.193 . . . . 4.11 111.409 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' H ' ' CD2' ' A' ' 10' ' ' HIS . 3.7 pt20 -61.31 -34.88 75.95 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.732 -0.387 . . . . 3.73 110.041 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -51.5 -50.63 59.55 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.408 -0.36 . . . . 1.14 110.2 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -48.9 69.56 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.772 -0.371 . . . . 2.77 110.369 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -52.72 64.14 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.305 -0.407 . . . . 4.35 110.52 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 1.006 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 2.3 m-20 -55.43 -45.58 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 2.1 109.999 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.418 ' SD ' ' NH2' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -54.02 -52.88 59.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 2.23 110.026 179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -52.06 -55.02 23.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.083 -0.508 . . . . 2.46 110.482 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.006 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 4.3 p30 -53.06 -41.93 65.31 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.167 0.508 . . . . 2.49 109.753 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HG3' ' CZ ' ' A' ' 91' ' ' PHE . 3.8 tp10 -60.98 -60.94 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 3.07 110.05 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.971 ' OE2' ' CD1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.54 -35.84 14.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.371 -0.603 . . . . 2.5 109.371 177.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 24.5 m -63.64 -37.45 87.39 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.953 -0.567 . . . . 1.59 109.656 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.921 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -44.71 -44.82 9.44 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 110.1 -0.333 . . . . 2.24 110.1 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.736 ' N ' ' CD1' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -57.18 -51.28 71.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.325 -0.398 . . . . 1.92 110.485 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 tmtp? -53.56 -46.79 70.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.415 -0.357 . . . . 3.58 111.002 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.94 -45.91 91.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.072 0.463 . . . . 3.45 110.625 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -61.79 -48.71 79.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.848 -0.615 . . . . 2.77 110.95 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 tttt -60.01 -38.44 82.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.477 -0.329 . . . . 3.62 110.664 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.26 -40.64 86.68 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.888 0.375 . . . . 3.19 110.139 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -48.98 77.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.876 -0.602 . . . . 3.08 110.749 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 26' ' ' LYS . 12.0 t -58.16 -37.89 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.04 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.0 m -80.28 -22.24 41.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.993 -0.548 . . . . 3.01 111.662 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -76.85 -51.44 11.28 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.797 0.332 . . . . 3.19 111.085 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CD ' HH12 ' A' ' 105' ' ' ARG . 0.3 OUTLIER 56.25 30.61 16.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.988 -0.551 . . . . 4.37 110.415 -179.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -41.62 139.34 1.17 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.928 -0.578 . . . . 4.85 111.874 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 11.9 t80 72.71 -12.29 0.77 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.813 -0.63 . . . . 9.52 111.712 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.87 120.61 22.43 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.985 -0.626 . . . . 4.85 112.53 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.05 135.18 6.12 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 110.549 -0.167 . . . . 7.28 110.549 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -34.97 -56.21 0.57 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.79 0.663 . . . . 5.96 112.79 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -43.64 -23.66 0.08 Allowed 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.952 0.723 . . . . 5.47 112.952 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -153.07 29.31 0.5 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.718 0.294 . . . . 4.22 111.043 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.19 -49.14 60.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.964 -0.636 . . . . 4.04 113.008 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -57.38 -59.77 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.681 0.277 . . . . 4.39 111.672 -179.603 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.402 ' NE2' HG23 ' A' ' 42' ' ' VAL . 2.8 mp0 -58.46 -31.71 68.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 4.24 110.678 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -65.92 -48.57 70.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.436 . . . . 3.83 110.12 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.2 -49.89 75.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 4.27 109.902 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -45.87 62.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.15 -0.477 . . . . 5.49 110.495 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -61.75 -46.17 90.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.297 -0.41 . . . . 4.3 110.179 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -55.81 -49.15 74.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.535 . . . . 4.17 110.021 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -50.01 -54.16 21.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.935 -0.575 . . . . 3.6 110.483 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -44.24 62.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.93 0.395 . . . . 3.17 110.408 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.516 ' HE ' ' CD ' ' A' ' 55' ' ' GLU . 4.0 tpt180 -59.16 -41.55 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.082 -0.508 . . . . 4.13 110.213 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' O ' HD23 ' A' ' 56' ' ' LEU . 44.5 mt -64.04 -50.45 68.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 2.9 109.927 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -49.87 -44.49 49.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 3.17 110.497 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.61 56.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.219 -0.446 . . . . 1.35 110.475 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.516 ' CD ' ' HE ' ' A' ' 51' ' ' ARG . 31.9 mt-10 -54.94 -47.43 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.107 -0.497 . . . . 2.6 110.515 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 52' ' ' LEU . 3.6 mm? -53.66 -44.85 69.97 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.875 -0.602 . . . . 2.67 111.141 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.61 -47.82 63.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 1.37 111.297 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.17 -24.09 40.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.064 -0.516 . . . . 1.43 111.163 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 1.093 ' CE1' HD11 ' A' ' 63' ' ' ILE . 36.6 t60 -75.69 -21.12 57.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.031 -0.532 . . . . 2.61 111.159 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -66.8 -61.76 4.61 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 109.478 -0.564 . . . . 3.01 109.478 179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 54.0 Cg_exo -52.69 -41.81 66.75 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.336 2.024 . . . . 1.6 111.459 178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.55 -50.73 66.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.669 -0.696 . . . . 1.31 111.408 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.093 HD11 ' CE1' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -55.84 -52.84 44.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 1.08 110.115 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -54.51 -51.79 64.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 3.27 110.337 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.49 -47.63 28.89 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.769 -0.729 . . . . 1.14 111.926 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.5 t -57.22 -54.81 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.162 0 CA-C-O 120.985 0.421 . . . . 1.46 110.313 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tt -52.81 -50.2 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 2.13 110.884 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.13 -48.61 75.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.622 -0.263 . . . . 2.24 110.882 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 m -58.94 -50.92 72.23 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 110.172 -0.307 . . . . 1.02 110.172 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.01 69.22 Favored Glycine 0 C--N 1.336 0.58 0 C-N-CA 120.213 -0.994 . . . . 0.79 110.9 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.25 -34.17 76.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.085 0.469 . . . . 3.25 109.92 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -51.82 68.3 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.998 -0.547 . . . . 3.71 110.342 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -36.88 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 1.52 110.422 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.473 ' HA ' ' HG3' ' A' ' 81' ' ' LYS . 19.7 m -63.18 -46.48 86.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.783 -0.644 . . . . 1.76 111.361 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -60.49 -34.52 74.17 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.617 -0.433 . . . . 2.34 109.846 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -71.74 -32.74 68.06 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 2.89 109.925 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 79.01 37.86 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.458 -0.792 . . . . 4.42 110.639 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.1 p -74.49 143.18 44.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.626 -0.715 . . . . 4.87 110.825 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mm -63.38 113.39 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.344 -0.389 . . . . 4.56 110.669 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.84 -21.34 5.6 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.167 -0.539 . . . . 2.87 111.811 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.473 ' HG3' ' HA ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -48.26 -45.38 34.37 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 111.493 0.182 . . . . 4.4 111.493 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -55.0 -56.48 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.827 0.346 . . . . 3.0 110.917 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.95 -46.02 74.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 2.94 110.229 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.6 -48.85 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 2.47 110.947 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -55.62 -43.75 76.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 3.13 110.515 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -49.55 76.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.994 0.426 . . . . 3.09 109.917 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH2' ' SD ' ' A' ' 16' ' ' MET . 8.7 mtp180 -58.28 -50.45 73.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.907 -0.588 . . . . 4.43 110.472 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -55.13 -43.41 74.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.05 -0.523 . . . . 1.9 110.509 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.48 77.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.788 0.328 . . . . 0.97 110.439 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.6 -47.86 83.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.986 -0.552 . . . . 2.72 109.852 179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.971 ' CD1' ' OE2' ' A' ' 20' ' ' GLU . 81.4 t80 -52.94 -50.57 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.732 -0.667 . . . . 1.19 110.393 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 88' ' ' LEU . 43.3 t -55.24 -52.77 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.48 -0.327 . . . . 1.37 110.345 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.887 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -49.56 -52.96 26.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.278 -0.419 . . . . 1.71 110.113 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.887 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 12.2 m-70 -54.5 -56.98 13.24 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.791 -0.448 . . . . 2.46 109.791 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.499 ' NE1' ' HD2' ' A' ' 59' ' ' HIS . 6.9 t90 -44.66 -43.65 8.46 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.871 -0.604 . . . . 2.64 111.496 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -53.3 -53.52 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.837 -0.345 . . . . 2.86 110.786 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HG2' ' N ' ' A' ' 98' ' ' LEU . 1.9 pt-20 -56.67 -43.6 80.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.459 -0.337 . . . . 3.03 111.102 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.551 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -62.41 -45.86 91.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 2.38 110.856 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' NZ ' ' CH2' ' A' ' 95' ' ' TRP . 2.0 tttp -59.0 -45.2 91.26 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.634 -0.506 . . . . 4.07 109.634 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.4 -55.25 37.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.142 -0.481 . . . . 3.33 109.841 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -47.61 -49.24 27.47 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.211 -0.449 . . . . 2.59 110.498 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.38 -52.18 39.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.963 0.411 . . . . 2.24 110.548 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.37 -48.69 68.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.059 -0.519 . . . . 2.56 110.5 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.15 -46.89 65.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.965 -0.561 . . . . 2.74 110.445 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.513 HH12 ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -52.48 -50.59 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 4.42 110.166 179.348 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.21 -41.51 70.5 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 120.968 -0.634 . . . . 3.27 112.192 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.699 0.285 . . . . 4.07 110.579 179.524 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.457 0.17 . . . . 4.11 110.694 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.9 -42.98 95.04 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.701 -0.481 . . . . 3.73 109.701 179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -49.42 -53.73 21.23 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.508 -0.552 . . . . 1.14 109.508 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -52.58 -45.11 66.32 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.72 -0.474 . . . . 2.77 109.72 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.023 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.28 -53.49 55.45 Favored 'General case' 0 C--N 1.334 -0.08 0 N-CA-C 109.739 -0.467 . . . . 4.35 109.739 178.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.815 ' HA ' ' CG ' ' A' ' 18' ' ' ASP . 3.1 m-20 -52.81 -48.38 66.95 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.538 -0.541 . . . . 2.1 109.538 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.6 mtp -51.32 -56.6 12.2 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.075 -0.511 . . . . 2.23 110.217 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -53.86 -46.91 71.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.134 -0.485 . . . . 2.46 110.002 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.023 ' OD2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -50.86 -48.11 60.24 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.544 -0.539 . . . . 2.49 109.544 178.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 3.9 tp10 -60.82 -57.97 10.43 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.02 -0.733 . . . . 3.07 109.02 178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.51 -38.39 1.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.58 -0.737 . . . . 2.5 109.999 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -44.95 95.8 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.022 -0.536 . . . . 1.59 110.106 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.608 ' CD2' ' CE1' ' A' ' 59' ' ' HIS . 18.2 t90 -48.97 -45.38 42.02 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.171 -0.468 . . . . 2.24 109.883 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.023 HG23 HD11 ' A' ' 98' ' ' LEU . 96.5 mt -46.58 -60.02 0.58 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.123 0 CA-C-O 120.98 0.419 . . . . 1.92 110.089 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -42.11 63.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 3.58 110.951 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.62 -49.54 77.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.323 -0.399 . . . . 3.45 111.072 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -45.92 83.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.36 . . . . 2.77 110.194 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -53.75 -41.64 67.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.92 -0.4 . . . . 3.62 109.92 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -67.1 -38.26 85.35 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.107 -0.497 . . . . 3.19 109.945 179.262 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.08 -45.67 86.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.011 -0.541 . . . . 3.08 110.083 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.688 HG13 ' HG3' ' A' ' 105' ' ' ARG . 73.7 t -51.46 -50.79 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 2.48 109.881 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.87 -37.59 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.665 -0.698 . . . . 3.01 110.291 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.8 m -61.65 -49.92 74.62 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.862 -0.608 . . . . 3.19 110.611 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -56.8 -44.32 81.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.421 . . . . 4.37 110.587 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.937 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.39 -58.22 8.28 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.102 -0.499 . . . . 4.85 110.781 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.937 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 59.8 m-85 -60.13 -40.42 89.69 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.396 -0.366 . . . . 9.52 110.976 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.84 126.84 37.81 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.971 -0.558 . . . . 4.85 112.67 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -131.71 77.6 1.78 Allowed 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.138 0.494 . . . . 7.28 110.635 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -60.26 -26.48 66.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.714 -0.675 . . . . 5.96 109.326 178.577 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER 87.68 30.57 0.03 OUTLIER 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.275 -0.875 . . . . 5.47 109.934 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 40' ' ' THR . 4.6 t -147.51 102.33 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.249 -0.887 . . . . 4.22 110.464 179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.24 -51.64 52.81 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.523 -0.846 . . . . 4.04 112.477 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 43' ' ' GLN . 6.1 m -54.65 -57.04 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.574 0.583 . . . . 4.39 112.574 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.524 ' H ' HG23 ' A' ' 42' ' ' VAL . 1.4 tp-100 -61.38 -44.03 97.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.69 0.281 . . . . 4.24 110.524 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.63 -39.12 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 3.83 110.305 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.7 tp -64.33 -55.91 18.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.068 -0.515 . . . . 4.27 109.644 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -52.44 -31.86 36.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.773 -0.649 . . . . 5.49 109.967 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -53.99 43.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.671 -0.695 . . . . 4.3 110.244 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -59.16 -38.54 80.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.565 . . . . 4.17 109.801 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -55.52 33.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.605 . . . . 3.6 110.477 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -38.9 70.02 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-N 116.336 -0.393 . . . . 3.17 110.614 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' NH2' ' OE2' ' A' ' 55' ' ' GLU . 0.4 OUTLIER -60.31 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 4.13 109.989 179.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 102' ' ' ALA . 9.0 mt -61.03 -43.69 98.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.886 -0.597 . . . . 2.9 110.234 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -46.46 79.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.082 -0.508 . . . . 3.17 110.475 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.46 95.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.082 0.468 . . . . 1.35 109.786 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.732 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -55.12 -54.98 36.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.652 -0.703 . . . . 2.6 110.652 179.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tp -61.26 -41.36 96.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.981 -0.554 . . . . 2.67 112.234 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.18 -52.36 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.929 0.395 . . . . 1.37 111.426 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.38 -30.85 37.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.044 -0.526 . . . . 1.43 112.076 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.712 ' CD2' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -68.07 -25.86 65.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 112.842 0.682 . . . . 2.61 112.842 -178.494 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.588 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -63.03 -62.97 4.68 Favored Pre-proline 0 C--N 1.322 -0.621 0 C-N-CA 118.94 -1.104 . . . . 3.01 108.993 179.302 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.588 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.2 Cg_exo -63.08 -36.54 58.2 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.114 1.876 . . . . 1.6 112.64 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -54.2 8.51 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.641 0.608 . . . . 1.31 112.641 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.712 HD11 ' CD2' ' A' ' 59' ' ' HIS . 3.1 mm -63.7 -46.96 93.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.386 -0.37 . . . . 1.08 110.847 -179.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.9 -49.18 78.78 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.737 -0.468 . . . . 3.27 109.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -47.64 -52.85 14.22 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.085 -0.578 . . . . 1.14 112.599 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 117.205 0.503 . . . . 1.46 110.295 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.47 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -53.84 -50.75 65.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 2.13 111.129 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -56.94 -47.53 80.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.513 -0.312 . . . . 2.24 110.84 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.6 m -59.18 -51.65 69.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.423 -0.353 . . . . 1.02 110.091 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.99 -43.82 82.85 Favored Glycine 0 C--N 1.335 0.474 0 C-N-CA 120.473 -0.87 . . . . 0.79 111.637 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -46.64 65.33 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.979 -0.378 . . . . 3.25 109.979 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -55.61 -58.22 8.7 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 116.038 -0.528 . . . . 3.71 110.167 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.3 mp -45.04 -38.5 4.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.319 -0.4 . . . . 1.52 111.008 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -32.53 72.95 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.345 0.868 . . . . 1.76 113.345 -178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -51.42 -24.03 4.49 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.357 0.502 . . . . 2.34 112.357 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 145.57 -37.15 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 122.889 0.476 . . . . 2.89 110.868 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -56.74 152.0 13.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.934 -0.576 . . . . 4.42 111.345 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.4 m 64.26 108.83 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.771 -0.649 . . . . 4.87 111.561 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.2 mm -62.41 146.01 12.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.143 -0.48 . . . . 4.56 110.479 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.556 ' O ' ' OE1' ' A' ' 83' ' ' GLU . . . 91.64 -2.01 76.37 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.811 -0.709 . . . . 2.87 111.886 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -42.26 -45.21 4.09 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 122.1 0.16 . . . . 4.4 111.374 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 82' ' ' GLU . 11.2 mm-40 -52.4 -57.58 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 3.0 110.941 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.556 ' OE1' ' O ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -53.38 -47.0 69.86 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.065 0.459 . . . . 2.94 109.823 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.08 -46.3 84.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 2.47 110.175 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -52.78 -44.44 66.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.755 -0.657 . . . . 3.13 110.436 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.57 -53.18 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 3.09 109.849 179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -47.5 76.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.867 -0.606 . . . . 4.43 110.634 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.8 tp -57.91 -46.35 85.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.139 -0.482 . . . . 1.9 110.151 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.23 70.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.914 -0.585 . . . . 0.97 110.213 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.47 -47.24 73.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.572 -0.74 . . . . 2.72 109.903 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 7.6 t80 -54.22 -47.92 71.63 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.148 -0.478 . . . . 1.19 109.748 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.0 t -53.62 -53.03 28.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.27 -0.423 . . . . 1.37 109.928 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -50.54 58.64 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.536 -0.542 . . . . 1.71 109.536 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -51.43 -58.4 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.798 -0.637 . . . . 2.46 110.085 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 98' ' ' LEU . 10.7 t90 -52.32 -43.85 64.76 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.184 -0.462 . . . . 2.64 110.834 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -51.84 59.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.125 -0.488 . . . . 2.86 110.461 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.84 -47.51 82.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.266 -0.425 . . . . 3.03 110.442 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.023 HD11 HG23 ' A' ' 23' ' ' ILE . 15.3 mt -56.87 -45.07 82.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 2.38 111.027 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -57.28 -49.63 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 4.07 110.073 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -59.72 -50.49 73.65 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.897 0.379 . . . . 3.33 110.12 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.5 tp -51.87 -46.07 64.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 2.59 110.527 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 52' ' ' LEU . . . -53.54 -52.22 60.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.287 -0.415 . . . . 2.24 110.794 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.79 65.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.137 -0.483 . . . . 2.56 110.876 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.24 -45.83 87.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 2.74 110.832 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.688 ' HG3' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -55.89 -42.11 75.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.084 -0.507 . . . . 4.42 110.326 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.39 98.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.004 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.785 0.326 . . . . 4.07 110.316 179.643 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.491 ' ND1' ' N ' ' A' ' 11' ' ' GLN . 20.6 p80 . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 111.809 0.3 . . . . 4.11 111.809 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' N ' ' ND1' ' A' ' 10' ' ' HIS . 1.2 mm100 -64.27 -37.48 87.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 3.73 110.496 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -57.17 -44.83 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 1.14 110.034 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -56.91 -51.97 67.02 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.837 -0.431 . . . . 2.77 109.837 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NH1' ' HA ' ' A' ' 15' ' ' ASP . 5.2 tmm_? -55.71 -49.07 74.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.04 -0.527 . . . . 4.35 109.714 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.461 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 2.2 m-20 -50.35 -54.13 23.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 2.1 110.578 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 44.1 ttp -54.13 -52.36 61.32 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.869 0.366 . . . . 2.23 110.451 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -54.49 -44.95 73.11 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.46 110.582 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.48 -46.66 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.532 -0.304 . . . . 2.49 110.871 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' OE2' ' CZ ' ' A' ' 91' ' ' PHE . 2.6 tm-20 -66.42 -57.8 6.64 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.174 -0.676 . . . . 3.07 109.174 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 1.29 ' OE1' ' HB2' ' A' ' 91' ' ' PHE . 1.1 tp10 -47.56 -36.2 10.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.955 -0.566 . . . . 2.5 109.808 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.456 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -65.71 -46.5 78.75 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.811 -0.631 . . . . 1.59 109.832 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CD1' ' OE2' ' A' ' 25' ' ' GLU . 19.3 t90 -52.72 -42.2 64.65 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.174 -0.467 . . . . 2.24 109.783 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mt -49.32 -56.61 2.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.021 0.438 . . . . 1.92 110.362 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 12.3 mtmm -50.21 -52.14 38.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 3.58 111.186 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.804 ' OE2' ' CD1' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -54.83 -46.35 74.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.378 -0.373 . . . . 3.45 111.353 -179.742 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.647 ' N ' ' HG2' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -63.28 -47.92 80.28 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.879 -0.328 . . . . 2.77 110.684 179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -41.34 43.89 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.078 0.466 . . . . 3.62 109.934 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.68 -38.26 83.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.867 -0.606 . . . . 3.19 110.12 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -44.53 96.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.646 -0.706 . . . . 3.08 110.995 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -60.14 -45.21 96.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 2.48 110.754 -179.804 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.806 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 17.4 m -53.03 -34.46 56.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.12 -0.491 . . . . 3.01 110.635 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 m -80.29 -49.12 12.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 3.19 110.679 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.83 ' HA ' ' OE1' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -48.86 -47.18 43.03 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.138 -0.483 . . . . 4.37 110.736 179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.806 ' OD1' ' O ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -64.26 114.85 4.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 4.85 110.879 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.501 ' CD2' ' OD2' ' A' ' 34' ' ' ASP . 3.1 m-85 57.67 41.98 24.53 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.719 -0.673 . . . . 9.52 110.709 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.28 -135.8 0.97 Allowed Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.996 -0.547 . . . . 4.85 113.054 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.06 -74.49 0.05 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.999 0.428 . . . . 7.28 110.673 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.79 19.24 0.05 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.719 -0.673 . . . . 5.96 112.331 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 52.78 17.91 0.94 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 121.036 0.446 . . . . 5.47 110.811 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 24.8 m -168.05 54.26 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 N-CA-C 108.705 -0.85 . . . . 4.22 108.705 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -48.81 -62.2 4.7 Favored Glycine 0 C--O 1.226 -0.378 0 N-CA-C 115.14 0.816 . . . . 4.04 115.14 -177.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.584 HG13 ' H ' ' A' ' 43' ' ' GLN . 7.5 p -53.05 -61.03 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 114.052 1.13 . . . . 4.39 114.052 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.584 ' H ' HG13 ' A' ' 42' ' ' VAL . 30.4 mm-40 -63.79 -37.6 87.99 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.738 0.273 . . . . 4.24 111.738 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.444 ' CG ' ' HZ2' ' A' ' 48' ' ' LYS . 20.9 t-20 -69.63 -32.78 71.68 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.047 -0.353 . . . . 3.83 110.047 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD21 ' O ' ' A' ' 33' ' ' GLU . 16.2 mt -64.7 -57.4 9.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.393 -0.367 . . . . 4.27 110.289 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -39.2 76.74 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.915 -0.314 . . . . 5.49 111.215 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -64.57 -47.93 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.902 0.382 . . . . 4.3 110.089 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' HZ2' ' CG ' ' A' ' 44' ' ' ASN . 11.8 mttp -62.01 -40.82 96.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.07 -0.514 . . . . 4.17 110.081 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.91 71.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 3.6 110.236 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -52.15 -41.58 62.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.824 0.345 . . . . 3.17 110.344 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.44 HH11 ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -66.25 -42.64 88.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 4.13 109.876 179.053 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.34 -49.65 76.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.799 -0.637 . . . . 2.9 110.447 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.75 -50.82 69.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.31 -0.405 . . . . 3.17 110.489 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.51 -42.36 92.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.085 0.469 . . . . 1.35 110.156 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -56.19 -56.33 22.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.597 -0.729 . . . . 2.6 110.602 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -54.02 -40.34 66.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.122 -0.49 . . . . 2.67 111.616 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.406 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -63.0 -50.05 72.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.151 -0.477 . . . . 1.37 111.19 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.39 -29.79 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.63 0.604 . . . . 1.43 112.63 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 32.3 m-70 -68.33 -49.29 61.37 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 120.828 -0.349 . . . . 2.61 110.895 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 3.4 tp10 -38.81 -60.93 1.0 Allowed Pre-proline 0 N--CA 1.463 0.225 0 O-C-N 123.243 0.339 . . . . 3.01 110.685 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 71.5 Cg_exo -38.81 -47.75 2.74 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.839 1.693 . . . . 1.6 111.86 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.879 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -80.47 -28.59 37.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.942 -0.572 . . . . 1.31 112.151 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.504 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 1.3 mm -65.33 -45.6 92.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.175 -0.676 . . . . 1.08 109.175 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -73.8 -41.13 62.81 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.244 -1.021 . . . . 3.27 108.244 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.83 -41.17 35.54 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.32 -0.855 . . . . 1.14 111.505 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 62' ' ' ALA . 58.5 t -59.18 -57.85 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.139 0 N-CA-C 109.488 -0.56 . . . . 1.46 109.488 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 tt -50.97 -49.12 60.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.924 -0.58 . . . . 2.13 110.19 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -54.03 -51.55 63.66 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 2.24 110.716 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.6 m -56.48 -50.61 71.26 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.609 -0.515 . . . . 1.02 109.609 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.51 -45.0 46.64 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 120.415 -0.897 . . . . 0.79 111.213 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -39.14 80.3 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.638 -0.504 . . . . 3.25 109.638 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.74 -48.93 79.48 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.958 -0.565 . . . . 3.71 109.759 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mp -52.31 -43.39 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.852 -0.613 . . . . 1.52 109.779 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.6 t -54.65 -49.35 70.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.42 -0.809 . . . . 1.76 112.482 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -40.19 96.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.663 0.616 . . . . 2.34 112.663 -177.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -80.15 -27.98 38.95 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.651 -0.42 . . . . 2.89 111.954 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.5 152.98 12.67 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.894 0.378 . . . . 4.42 111.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -127.95 34.79 4.55 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.221 -0.445 . . . . 4.87 111.195 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.9 mt -92.01 59.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.037 0.446 . . . . 4.56 110.312 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.569 ' HA2' ' OE2' ' A' ' 83' ' ' GLU . . . 135.61 -8.24 4.28 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-N 115.867 -0.606 . . . . 2.87 112.043 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -47.01 -59.31 3.2 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 120.681 0.277 . . . . 4.4 110.96 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -40.14 -59.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.154 -0.475 . . . . 3.0 111.345 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.569 ' OE2' ' HA2' ' A' ' 80' ' ' GLY . 0.3 OUTLIER -54.48 -47.4 73.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.027 0.442 . . . . 2.94 110.443 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 32.1 mm -55.92 -44.82 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 2.47 110.502 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -49.67 67.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.299 -0.409 . . . . 3.13 110.733 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -55.1 -51.16 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.254 -0.43 . . . . 3.09 110.362 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.68 -49.09 78.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.948 -0.569 . . . . 4.43 110.627 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.4 tp -55.75 -37.9 69.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 1.9 110.626 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.9 -34.83 72.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.97 110.604 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.39 -45.64 75.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.138 -0.483 . . . . 2.72 109.855 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 1.29 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 27.9 t80 -55.72 -50.35 70.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.686 -0.688 . . . . 1.19 110.376 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.84 -50.73 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 1.37 110.212 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -52.13 -50.0 62.59 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.409 -0.36 . . . . 1.71 110.209 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -52.48 -55.33 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 2.46 109.884 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -51.12 -48.71 61.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.809 -0.632 . . . . 2.64 110.038 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.17 -52.96 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.429 -0.805 . . . . 2.86 111.189 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -57.6 -42.99 84.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.801 0.334 . . . . 3.03 110.388 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -59.23 -48.7 80.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 2.38 110.278 179.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -57.49 -48.93 77.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.804 -0.635 . . . . 4.07 110.228 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 3.33 110.326 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.33 -46.98 73.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.266 -0.425 . . . . 2.59 109.985 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.05 -51.09 59.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.133 -0.485 . . . . 2.24 110.491 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.29 -50.98 61.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.027 -0.533 . . . . 2.56 110.621 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.87 79.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.968 -0.56 . . . . 2.74 110.236 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.409 ' NH2' ' HA ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -57.96 -41.04 82.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 4.42 110.218 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.22 -39.22 63.64 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.9 -0.667 . . . . 3.27 111.927 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.181 0 CA-C-O 120.945 0.402 . . . . 4.07 109.999 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.5 t60 . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.562 0.22 . . . . 4.11 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.87 -46.86 84.23 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.32 0.581 . . . . 3.73 109.604 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -48.51 -42.98 34.69 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.666 -0.697 . . . . 1.14 110.612 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.82 -50.51 66.0 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.934 -0.395 . . . . 2.77 109.934 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -47.68 85.2 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.53 -0.545 . . . . 4.35 109.53 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -48.63 -49.24 38.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.311 -0.404 . . . . 2.1 110.769 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 13.3 mtm -59.16 -52.28 66.37 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-O 121.091 0.472 . . . . 2.23 110.178 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -54.23 -43.79 71.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.038 -0.356 . . . . 2.46 110.038 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.52 -46.44 83.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.443 . . . . 2.49 110.959 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 16' ' ' MET . 16.9 pt-20 -65.09 -53.39 46.19 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.625 -0.509 . . . . 3.07 109.625 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.542 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -47.96 -43.43 29.35 Favored 'General case' 0 C--O 1.23 0.078 0 N-CA-C 109.447 -0.575 . . . . 2.5 109.447 177.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HA ' ' HE3' ' A' ' 24' ' ' LYS . 2.3 t -59.64 -50.41 73.99 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.18 -0.464 . . . . 1.59 109.892 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 31.0 t90 -50.35 -45.82 55.3 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 110.065 -0.346 . . . . 2.24 110.065 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 98' ' ' LEU . 4.3 mt -49.31 -58.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 120.806 0.336 . . . . 1.92 110.184 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' A' ' 21' ' ' SER . 8.0 mtmp? -49.15 -49.91 40.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 3.58 110.975 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.63 -47.91 75.83 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.968 -0.56 . . . . 3.45 111.33 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -63.86 -45.16 90.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.998 -0.371 . . . . 2.77 109.998 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -48.83 -42.3 35.75 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 109.664 -0.495 . . . . 3.62 109.664 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.4 tm? -57.12 -43.8 82.67 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.01 -0.541 . . . . 3.19 110.012 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.693 HD13 HH22 ' A' ' 51' ' ' ARG . 35.9 mt -55.31 -43.52 74.92 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.026 -0.534 . . . . 3.08 110.304 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 t -53.96 -39.08 39.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.971 0.415 . . . . 2.48 110.009 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.63 -27.49 65.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.603 -0.726 . . . . 3.01 110.918 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.7 ' OG ' ' OE2' ' A' ' 33' ' ' GLU . 4.5 p -80.86 -35.27 32.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 3.19 110.982 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.7 ' OE2' ' OG ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -77.13 29.44 0.14 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.899 -0.592 . . . . 4.37 111.938 -179.171 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.992 ' OD1' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -83.04 84.52 7.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.389 . . . . 4.85 110.392 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' GLY . 39.5 p90 -176.52 -15.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.013 -0.54 . . . . 9.52 110.801 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 35' ' ' TYR . . . 23.16 -95.52 0.01 OUTLIER Glycine 0 C--N 1.339 0.727 0 O-C-N 123.677 0.611 . . . . 4.85 114.447 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.677 ' CD ' ' H ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -29.2 -39.65 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.249 0.62 . . . . 7.28 112.649 -179.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.774 ' O ' HG22 ' A' ' 40' ' ' THR . 5.5 t70 44.19 28.18 0.26 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.194 0.442 . . . . 5.96 112.194 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.677 ' H ' ' CD ' ' A' ' 37' ' ' ARG . 2.3 tp 49.18 23.44 0.78 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.334 -0.393 . . . . 5.47 111.943 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 38' ' ' ASP . 3.5 t -171.12 86.18 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.932 0.396 . . . . 4.22 110.085 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.7 -60.25 8.17 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.028 -0.605 . . . . 4.04 113.673 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 t -46.66 -60.6 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.569 0.581 . . . . 4.39 112.569 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -63.61 -35.45 80.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.299 . . . . 4.24 110.849 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -64.96 -32.49 74.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 3.83 110.306 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 45' ' ' LEU . 9.7 tp -65.22 -60.57 2.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 4.27 110.111 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' NH2' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 5.49 110.075 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -50.5 67.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.711 -0.677 . . . . 4.3 110.368 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -59.4 -43.96 92.89 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.467 -0.568 . . . . 4.17 109.467 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CE1' ' HG ' ' A' ' 45' ' ' LEU . 2.2 m-70 -51.01 -53.96 28.76 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.8 -0.636 . . . . 3.6 110.827 179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -49.06 -46.36 44.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.879 0.371 . . . . 3.17 110.827 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.693 HH22 HD13 ' A' ' 29' ' ' LEU . 1.4 mtp85 -67.91 -34.31 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 4.13 110.435 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.8 tp -65.0 -42.45 94.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.88 -0.6 . . . . 2.9 110.358 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.723 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -56.15 -51.5 67.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.032 -0.358 . . . . 3.17 110.032 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.71 -49.49 74.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.216 0.532 . . . . 1.35 109.82 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 22.5 mt-10 -52.24 -53.46 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.376 -0.829 . . . . 2.6 110.499 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 32.0 tp -51.23 -44.72 61.73 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.998 -0.546 . . . . 2.67 111.176 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.73 23.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 1.37 111.524 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -35.28 29.72 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.506 0.558 . . . . 1.43 112.506 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.619 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 50.0 m80 -62.49 -31.07 71.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.554 0.216 . . . . 2.61 111.506 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.569 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.1 OUTLIER -61.5 -65.34 2.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 C-N-CA 119.623 -0.831 . . . . 3.01 110.414 -179.167 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 31.1 Cg_exo -59.14 -40.07 73.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.621 1.547 . . . . 1.6 113.599 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.75 -50.95 12.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.952 0.723 . . . . 1.31 112.952 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.502 HG13 ' HB3' ' A' ' 59' ' ' HIS . 4.9 mm -76.78 -39.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 112.147 0.425 . . . . 1.08 112.147 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 97.0 mt-30 -66.18 -48.16 71.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 120.251 -0.58 . . . . 3.27 109.969 179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.58 -49.38 8.66 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.535 -0.84 . . . . 1.14 112.014 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.524 HG21 ' OE1' ' A' ' 19' ' ' GLU . 66.1 t -62.28 -57.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.808 0.299 . . . . 1.46 111.808 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.577 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -53.32 -43.35 67.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.091 -0.244 . . . . 2.13 111.224 -179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -57.54 -50.38 73.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.637 -0.256 . . . . 2.24 110.982 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 m -62.47 -48.41 79.73 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.908 -0.405 . . . . 1.02 109.908 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.84 -43.09 60.47 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.478 -0.868 . . . . 0.79 111.331 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -61.66 -37.93 85.88 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 110.065 -0.346 . . . . 3.25 110.065 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.046 -0.524 . . . . 3.71 110.25 179.266 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -56.88 -42.25 79.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.122 0.487 . . . . 1.52 109.792 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.3 m -60.97 -48.55 81.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.58 -0.736 . . . . 1.76 111.121 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -51.49 -41.23 60.8 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.882 0.372 . . . . 2.34 110.511 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.574 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 3.2 m-20 -76.88 -32.14 57.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.862 -0.608 . . . . 2.89 110.11 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.3 t30 77.29 59.6 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.697 -0.683 . . . . 4.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.23 133.12 44.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.979 -0.555 . . . . 4.87 110.359 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.41 96.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 4.56 110.401 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.92 -16.41 4.23 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.91 -0.586 . . . . 2.87 112.095 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 84' ' ' ILE . 21.0 pttm -42.61 -41.1 2.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.622 0.248 . . . . 4.4 111.502 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -52.43 -53.41 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.379 . . . . 3.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -45.15 85.09 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.141 0.496 . . . . 2.94 109.806 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 81' ' ' LYS . 52.3 mt -53.21 -45.95 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 2.47 110.358 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -51.56 -49.23 62.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.052 -0.522 . . . . 3.13 109.919 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 6.3 tp60 -55.62 -48.84 74.26 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.326 -0.397 . . . . 3.09 110.113 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -54.68 -51.06 66.68 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.073 -0.512 . . . . 4.43 110.417 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.16 -35.49 75.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.068 -0.515 . . . . 1.9 109.928 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 86' ' ' GLN . . . -57.35 -30.01 64.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.001 -0.545 . . . . 0.97 110.95 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.68 -48.92 62.7 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.314 -0.403 . . . . 2.72 109.947 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 3.7 t80 -53.78 -46.89 71.16 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.119 -0.697 . . . . 1.19 109.119 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.0 t -54.31 -54.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 115.739 -0.664 . . . . 1.37 110.421 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.956 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -48.98 -48.53 43.24 Favored 'General case' 0 CA--C 1.522 -0.101 0 N-CA-C 109.573 -0.528 . . . . 1.71 109.573 179.068 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.956 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -52.02 -59.57 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.522 -0.547 . . . . 2.46 109.522 178.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.499 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 22.3 t90 -45.69 -46.61 14.91 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.864 -0.607 . . . . 2.64 109.853 178.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -49.11 -51.35 32.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.411 -0.813 . . . . 2.86 110.676 179.336 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.707 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -54.21 -48.75 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 3.03 110.552 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.494 HD11 HG23 ' A' ' 23' ' ' ILE . 7.9 mt -55.92 -45.51 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.957 -0.565 . . . . 2.38 110.277 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -56.68 -51.81 67.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.001 -0.545 . . . . 4.07 109.782 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' NE2' ' OE1' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -53.72 -52.89 58.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 3.33 110.136 179.032 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 mp -51.09 -48.16 61.73 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.264 -0.425 . . . . 2.59 110.611 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -48.16 66.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.24 -0.436 . . . . 2.24 110.883 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.98 98.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 2.56 110.774 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.65 82.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 2.74 110.926 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -59.7 -47.74 84.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 4.42 110.986 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.4 -35.91 92.68 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.88 -0.676 . . . . 3.27 112.713 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.768 0.318 . . . . 4.07 111.176 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.4 t60 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.494 0.188 . . . . 4.11 111.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -60.5 -49.5 77.29 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.907 -0.405 . . . . 3.73 109.907 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' CD2' HD11 ' A' ' 73' ' ' LEU . 25.3 t80 -50.94 -32.92 22.35 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 109.396 -0.594 . . . . 1.14 109.396 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.92 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -52.76 -46.84 67.69 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.504 -0.925 . . . . 2.77 108.504 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.718 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 3.5 tpt180 -59.87 -48.43 81.72 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.196 -1.039 . . . . 4.35 108.196 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 0.7 OUTLIER -51.41 -42.26 61.34 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 115.805 -0.634 . . . . 2.1 109.928 178.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.488 ' HA ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.8 -56.22 19.46 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.357 -0.609 . . . . 2.23 109.357 179.252 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.92 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.06 -47.21 71.89 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.664 -0.865 . . . . 2.46 108.664 177.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 15' ' ' ASP . 99.7 m-20 -51.01 -41.25 59.66 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.794 -0.447 . . . . 2.49 109.794 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 1.206 ' OE2' ' N ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -55.0 -66.97 0.31 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.491 0.662 . . . . 3.07 109.367 178.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -49.68 -35.12 20.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.714 -1.13 . . . . 2.5 110.182 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 18' ' ' ASP . 1.2 m -59.61 -35.52 74.5 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.767 -0.651 . . . . 1.59 109.76 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.645 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 55.8 t-105 -53.77 -59.87 4.05 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.174 -0.676 . . . . 2.24 109.174 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.0 mt -39.12 -53.43 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-N 116.241 -0.436 . . . . 1.92 110.473 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 mtmm -55.02 -50.65 68.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.438 . . . . 3.58 110.836 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -58.43 -42.29 86.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.951 -0.568 . . . . 3.45 111.308 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.386 ' CE ' ' OE2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -68.37 -44.94 74.07 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.855 -0.424 . . . . 2.77 109.855 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -41.31 48.73 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.215 -0.661 . . . . 3.62 109.215 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tp -54.97 -47.66 74.27 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.864 -0.607 . . . . 3.19 109.849 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.577 HD22 ' CD ' ' A' ' 55' ' ' GLU . 2.7 tp -55.46 -47.48 76.01 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.845 -0.616 . . . . 3.08 109.842 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.15 -36.07 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.852 -0.613 . . . . 2.48 110.266 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -34.72 74.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.895 -0.593 . . . . 3.01 110.338 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -80.28 -38.63 30.43 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.991 -0.549 . . . . 3.19 109.896 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' CG ' ' HB3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER 58.89 22.01 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.391 -0.822 . . . . 4.37 112.026 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 56.12 17.53 2.75 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.28 0.474 . . . . 4.85 112.28 179.159 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -52.42 148.78 6.36 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 120.672 0.272 . . . . 9.52 110.609 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.35 94.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.727 . . . . 4.85 112.632 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.09 88.02 0.05 OUTLIER 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.109 0.48 . . . . 7.28 111.392 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.686 ' C ' ' OD1' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -101.73 -21.68 14.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.707 -0.679 . . . . 5.96 110.605 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.598 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 63.7 mt -42.35 -46.14 4.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.002 -0.545 . . . . 5.47 111.356 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 t -75.74 69.31 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.796 -0.446 . . . . 4.22 109.796 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.92 -40.76 0.83 Allowed Glycine 0 C--O 1.225 -0.424 0 C-N-CA 121.236 -0.507 . . . . 4.04 113.676 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.641 HG23 ' H ' ' A' ' 43' ' ' GLN . 6.5 m -57.29 -60.65 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 117.157 0.479 . . . . 4.39 111.816 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.641 ' H ' HG23 ' A' ' 42' ' ' VAL . 9.0 mm100 -66.18 -26.79 67.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 4.24 109.985 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.564 ' ND2' ' HB2' ' A' ' 38' ' ' ASP . 41.1 t-20 -66.08 -44.36 84.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.605 -0.725 . . . . 3.83 110.48 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.07 -53.96 48.06 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 109.909 -0.404 . . . . 4.27 109.909 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -41.73 75.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 5.49 110.148 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -59.4 -47.16 86.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.563 . . . . 4.3 110.084 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -57.17 -53.85 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 4.17 109.916 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.29 -47.71 62.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.081 -0.508 . . . . 3.6 110.237 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -45.33 71.9 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.948 -0.569 . . . . 3.17 110.428 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -59.61 -41.8 91.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.13 -0.487 . . . . 4.13 110.002 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.23 -56.51 21.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.568 -0.742 . . . . 2.9 110.477 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -45.75 77.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.028 -0.533 . . . . 3.17 110.359 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.57 81.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 1.35 110.188 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 1.386 ' OE2' ' CE ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -53.56 -55.76 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 2.6 110.88 179.434 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -37.75 78.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.15 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.14 -38.3 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 1.37 110.941 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.39 -25.66 38.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 1.43 111.796 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.645 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 26.5 m80 -72.99 -41.01 64.77 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.503 -0.317 . . . . 2.61 111.217 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -53.99 -61.34 5.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 3.01 111.524 -178.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 44.5 Cg_exo -57.33 -51.32 8.78 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.205 1.937 . . . . 1.6 112.796 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.14 64.5 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.092 -0.503 . . . . 1.31 112.033 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.5 -57.27 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.936 -0.574 . . . . 1.08 111.202 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -47.2 -48.93 23.76 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.271 -0.422 . . . . 3.27 110.7 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.61 -55.22 7.17 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.607 -0.806 . . . . 1.14 112.277 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.672 HG11 ' HG3' ' A' ' 19' ' ' GLU . 92.0 t -59.0 -50.11 80.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.021 0.438 . . . . 1.46 110.787 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.81 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 2.13 110.848 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -51.97 -49.22 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 2.24 110.639 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 m -57.96 -51.82 68.05 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.791 0.329 . . . . 1.02 110.503 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.08 -38.04 83.36 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.356 -0.926 . . . . 0.79 111.809 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -63.67 -35.35 80.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.69 -0.485 . . . . 3.25 109.69 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -47.35 85.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.296 -0.411 . . . . 3.71 109.996 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.558 HD11 ' CD2' ' A' ' 12' ' ' PHE . 1.8 mt -62.23 -41.17 98.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 1.52 109.474 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.0 m -60.93 -47.97 83.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.215 -0.902 . . . . 1.76 112.032 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -47.48 -59.72 3.04 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.199 -0.455 . . . . 2.34 112.204 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.01 -36.38 61.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.35 . . . . 2.89 111.738 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -54.91 -53.69 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.483 -0.326 . . . . 4.42 111.451 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m 73.86 -65.23 0.36 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.226 -0.443 . . . . 4.87 110.536 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.8 pt -101.31 100.05 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.408 -0.36 . . . . 4.56 110.375 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 141.37 -25.44 2.48 Favored Glycine 0 N--CA 1.452 -0.24 0 N-CA-C 111.433 -0.667 . . . . 2.87 111.433 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -46.17 -38.42 8.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.664 0.268 . . . . 4.4 110.97 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -50.6 -50.89 52.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.358 -0.383 . . . . 3.0 110.722 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -49.42 72.7 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.336 -0.393 . . . . 2.94 110.029 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.6 mt -53.68 -49.49 56.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 2.47 110.328 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -52.31 -49.07 64.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 3.13 110.205 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.87 -49.22 76.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 3.09 110.046 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -51.4 67.01 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.873 -0.603 . . . . 4.43 110.937 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.538 HD21 HG12 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -58.93 -38.27 78.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.962 0.41 . . . . 1.9 110.107 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.68 -29.3 69.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.856 -0.611 . . . . 0.97 110.843 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -66.96 -43.34 83.34 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.143 -0.48 . . . . 2.72 110.097 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 19' ' ' GLU . 80.2 t80 -60.81 -46.79 89.13 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.571 -0.529 . . . . 1.19 109.571 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 88' ' ' LEU . 18.2 t -53.7 -52.68 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 1.37 109.84 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.629 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.7 OUTLIER -46.3 -55.29 7.46 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.164 -0.471 . . . . 1.71 110.337 178.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.629 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 43.7 m80 -54.87 -56.75 16.08 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.815 -0.439 . . . . 2.46 109.815 178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.616 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 25.7 t90 -46.05 -42.94 14.06 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.819 -0.628 . . . . 2.64 110.282 179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -59.81 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 2.86 110.391 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.942 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -49.84 -46.08 50.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 3.03 110.457 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -59.21 -47.11 86.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.312 -0.404 . . . . 2.38 110.509 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.67 -47.36 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 4.07 110.059 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.65 -53.58 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.807 -0.633 . . . . 3.33 110.378 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.942 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 24.0 mt -53.34 -46.0 69.32 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.556 -0.293 . . . . 2.59 110.662 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.19 -48.46 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 2.24 110.881 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.88 78.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.595 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.83 75.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.903 -0.589 . . . . 2.74 110.859 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.414 ' HB3' ' CG ' ' A' ' 33' ' ' GLU . 9.6 mmm180 -57.97 -43.35 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 4.42 110.094 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -51.74 -27.78 20.96 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.844 -0.616 . . . . 3.27 113.144 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 N-CA-C 112.032 0.382 . . . . 4.07 112.032 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.5 m80 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.816 0.341 . . . . 4.11 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.27 -42.83 92.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 3.73 110.703 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.732 ' CD2' HD11 ' A' ' 73' ' ' LEU . 41.1 t80 -54.67 -44.84 73.69 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 120.582 -0.447 . . . . 1.14 110.814 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -49.19 -51.92 29.86 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.569 -0.453 . . . . 2.77 110.003 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -52.76 64.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 4.35 110.248 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -50.3 -44.78 54.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.855 0.36 . . . . 2.1 110.721 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.4 tpt -54.93 -58.71 6.51 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.139 -0.482 . . . . 2.23 110.798 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.82 -46.22 81.78 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 120.808 -0.357 . . . . 2.46 110.374 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.79 -42.33 71.64 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.699 0.285 . . . . 2.49 110.396 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.596 ' HG2' ' CZ ' ' A' ' 91' ' ' PHE . 14.7 tt0 -64.52 -62.21 1.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.233 0.539 . . . . 3.07 109.597 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -46.67 -37.36 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.733 -0.667 . . . . 2.5 109.654 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -51.33 69.76 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 115.811 -0.632 . . . . 1.59 109.762 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.627 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 18.0 t90 -49.58 -45.63 48.06 Favored 'General case' 0 CA--C 1.527 0.084 0 CA-C-N 116.272 -0.422 . . . . 2.24 109.963 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.563 HG22 ' N ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -46.48 -56.13 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-O 120.902 0.382 . . . . 1.92 110.528 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.563 ' N ' HG22 ' A' ' 23' ' ' ILE . 2.9 mttp -58.18 -42.35 85.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.32 -0.4 . . . . 3.58 110.825 179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.8 -41.7 87.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.991 -0.55 . . . . 3.45 111.157 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -63.78 -52.1 61.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.003 -0.279 . . . . 2.77 110.282 179.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -51.91 -43.53 63.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.92 0.39 . . . . 3.62 110.782 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.63 -34.24 69.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 3.19 110.421 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.45 -36.5 84.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.862 -0.608 . . . . 3.08 110.771 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 26' ' ' LYS . 2.7 t -59.57 -50.15 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-O 120.966 0.413 . . . . 2.48 110.886 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.511 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 15.0 m -51.25 -36.48 42.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 3.01 111.347 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.01 -53.41 6.44 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.384 0.513 . . . . 3.19 112.384 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 9.4 pt-20 -54.26 -36.62 63.79 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 4.37 111.514 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.511 ' OD1' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -73.76 128.96 36.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.977 0.418 . . . . 4.85 111.628 -179.427 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -177.44 176.68 1.27 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.608 -0.723 . . . . 9.52 109.509 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -134.01 165.91 24.17 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.589 -0.815 . . . . 4.85 113.213 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 38' ' ' ASP . 8.7 tpp180 -153.63 85.45 1.18 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 110.347 -0.242 . . . . 7.28 110.347 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -19.69 -74.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.847 0.684 . . . . 5.96 112.847 -179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 mp -30.58 -46.01 0.07 Allowed 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.595 0.591 . . . . 5.47 112.595 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 m -140.66 55.89 1.59 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.35 -0.386 . . . . 4.22 110.197 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.99 -61.17 7.82 Favored Glycine 0 C--O 1.226 -0.361 0 C-N-CA 121.115 -0.564 . . . . 4.04 114.026 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.546 HG23 ' H ' ' A' ' 43' ' ' GLN . 10.0 m -52.7 -58.02 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.276 0.472 . . . . 4.39 112.276 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.546 ' H ' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -57.5 -42.25 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.602 0.239 . . . . 4.24 110.757 -179.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -59.15 -46.23 88.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.526 -0.306 . . . . 3.83 110.48 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD23 ' NZ ' ' A' ' 48' ' ' LYS . 23.5 mt -61.51 -50.53 72.35 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 4.27 110.355 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -55.86 -35.15 66.15 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.207 -0.452 . . . . 5.49 110.047 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.97 -46.14 91.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.015 -0.539 . . . . 4.3 109.797 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.434 ' NZ ' HD23 ' A' ' 45' ' ' LEU . 8.5 mtmt -57.4 -51.65 68.56 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.171 -0.677 . . . . 4.17 109.171 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.595 ' CE1' ' HE ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -52.31 -48.11 65.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.546 -0.752 . . . . 3.6 110.325 179.26 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -46.56 31.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.254 -0.43 . . . . 3.17 110.555 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -40.14 96.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.075 0.464 . . . . 4.13 109.98 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.444 HD22 HH21 ' A' ' 105' ' ' ARG . 4.9 tp -59.38 -49.15 78.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.76 -0.654 . . . . 2.9 110.059 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.35 -50.86 49.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.33 -0.396 . . . . 3.17 110.273 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.39 -51.69 61.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.332 -0.394 . . . . 1.35 109.982 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -51.09 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.493 -0.558 . . . . 2.6 109.493 178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -39.85 -45.63 1.84 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.594 -0.73 . . . . 2.67 111.305 179.141 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.51 -41.77 88.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.913 0.387 . . . . 1.37 111.049 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.25 -20.77 11.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.43 112.168 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.627 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 17.8 m80 -62.86 -31.04 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.533 0.197 . . . . 2.61 111.533 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.596 ' HB2' ' HD3' ' A' ' 61' ' ' PRO . 3.3 mp0 -64.71 -62.45 4.91 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.429 -0.508 . . . . 3.01 110.91 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.596 ' HD3' ' HB2' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -56.23 -41.05 80.61 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 121.433 1.422 . . . . 1.6 112.486 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.69 25.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.168 0.803 . . . . 1.31 113.168 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 59' ' ' HIS . 90.5 mt -76.66 -39.55 32.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 112.097 0.406 . . . . 1.08 112.097 -178.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -56.0 -46.81 78.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 110.362 -0.236 . . . . 3.27 110.362 179.312 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.86 -50.05 15.88 Favored Glycine 0 C--N 1.335 0.506 0 C-N-CA 120.358 -0.925 . . . . 1.14 111.214 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.5 t -55.76 -52.18 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.121 0.486 . . . . 1.46 109.861 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.4 tp -51.78 -52.56 48.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 2.13 110.307 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -48.98 67.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.267 -0.424 . . . . 2.24 110.489 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.0 m -56.96 -47.45 80.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.05 0.453 . . . . 1.02 109.868 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' HA2' ' HG ' ' A' ' 73' ' ' LEU . . . -56.6 -39.38 85.32 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.567 -0.825 . . . . 0.79 111.949 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.661 ' O ' ' OD2' ' A' ' 75' ' ' ASP . 11.0 mtpt -57.05 -40.59 77.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.587 -0.523 . . . . 3.25 109.587 178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.695 ' HA ' ' OD2' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -56.47 -44.94 81.05 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.839 -0.618 . . . . 3.71 110.344 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.732 HD11 ' CD2' ' A' ' 12' ' ' PHE . 10.7 mt -51.39 -51.56 53.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 1.52 109.987 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 m -58.46 -40.78 83.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 1.76 110.405 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.695 ' OD2' ' HA ' ' A' ' 72' ' ' LYS . 19.4 m-20 -57.46 -37.01 72.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.797 -0.638 . . . . 2.34 111.273 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.25 -32.86 26.21 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.478 -0.328 . . . . 2.89 111.394 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -145.88 121.93 10.74 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.904 0.383 . . . . 4.42 111.097 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 79' ' ' ILE . 5.3 t -67.99 -52.59 33.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 4.87 110.526 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.462 ' N ' HG23 ' A' ' 78' ' ' THR . 0.0 OUTLIER -67.78 101.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.968 -0.56 . . . . 4.56 110.498 179.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.04 -38.84 1.09 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.008 -0.615 . . . . 2.87 111.743 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -48.36 -41.4 28.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.73 0.3 . . . . 4.4 110.665 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -51.2 -55.62 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 3.0 110.877 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -47.31 78.0 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.182 0.515 . . . . 2.94 109.943 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.584 HD13 HD12 ' A' ' 73' ' ' LEU . 77.5 mt -52.27 -49.11 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.888 -0.596 . . . . 2.47 110.379 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.2 -47.06 69.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 3.13 110.537 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -56.05 -49.18 74.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 3.09 110.161 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.7 mmp_? -57.7 -51.42 69.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.058 -0.519 . . . . 4.43 110.498 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.9 tp -54.32 -41.45 69.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.053 -0.521 . . . . 1.9 110.088 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.609 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -56.21 -36.81 68.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.948 -0.569 . . . . 0.97 110.45 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -64.32 -45.19 88.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.03 -0.532 . . . . 2.72 110.305 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.596 ' CZ ' ' HG2' ' A' ' 19' ' ' GLU . 25.5 t80 -59.79 -46.71 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 1.19 110.526 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -58.37 -44.07 87.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.324 -0.398 . . . . 1.37 110.546 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 1.026 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.94 -51.56 56.16 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 109.589 -0.523 . . . . 1.71 109.589 178.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.026 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 23.0 m170 -50.52 -57.9 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 2.46 110.253 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.426 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 10.4 t90 -50.51 -44.83 56.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 2.64 110.833 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 5.2 mtmm -50.5 -49.86 54.45 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.53 -0.305 . . . . 2.86 110.495 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.38 -49.45 64.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 3.03 110.076 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.53 80.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.75 -0.659 . . . . 2.38 110.602 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -56.38 -46.89 79.87 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.849 -0.426 . . . . 4.07 109.849 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -54.04 -55.77 24.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.978 -0.556 . . . . 3.33 109.825 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.7 tp -49.22 -50.26 39.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.562 . . . . 2.59 110.097 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.87 -47.76 67.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.072 -0.513 . . . . 2.24 110.337 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.59 -46.62 67.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.965 -0.561 . . . . 2.56 109.978 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.85 85.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.95 -0.568 . . . . 2.74 110.247 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.595 ' HE ' ' CE1' ' A' ' 49' ' ' HIS . 3.8 tmm_? -50.33 -40.13 48.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.944 -0.571 . . . . 4.42 110.032 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.83 -34.67 83.31 Favored Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.81 -0.632 . . . . 3.27 112.224 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 121.046 0.45 . . . . 4.07 110.74 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.1 m80 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.833 0.349 . . . . 4.11 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -58.52 -50.75 72.62 Favored 'General case' 0 C--O 1.223 -0.339 0 N-CA-C 108.743 -0.836 . . . . 3.73 108.743 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.11 -48.31 23.0 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 109.127 -0.694 . . . . 1.14 109.127 178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -50.89 -51.1 55.03 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.38 -0.6 . . . . 2.77 109.38 178.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -57.71 -52.16 66.57 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.676 -0.49 . . . . 4.35 109.676 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.58 -49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.781 -0.451 . . . . 2.1 109.781 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 1.459 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 4.0 ttp -56.62 -52.72 63.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.071 0.462 . . . . 2.23 110.18 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.48 -44.71 62.54 Favored 'General case' 0 C--N 1.335 -0.062 0 N-CA-C 109.608 -0.515 . . . . 2.46 109.608 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -49.47 64.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 2.49 109.408 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 1.459 ' OE1' ' CA ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -59.7 -52.08 67.02 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.103 -0.702 . . . . 3.07 109.103 178.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.849 ' OE1' ' HA ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -42.53 -48.11 5.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.839 -0.619 . . . . 2.5 109.525 178.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -61.83 -49.54 75.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.437 -0.579 . . . . 1.59 109.437 178.468 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.655 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 2.4 t90 -51.05 -38.26 50.43 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.944 -0.571 . . . . 2.24 109.987 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 23' ' ' ILE . 1.9 mm -58.9 -57.27 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 1.92 109.983 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 3.7 mtmm -52.86 -42.88 65.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.297 0.57 . . . . 3.58 109.918 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.37 -35.73 78.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.24 -0.891 . . . . 3.45 110.803 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 10.6 tptp -68.26 -42.06 80.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.006 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -56.24 -45.12 80.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.084 -0.507 . . . . 3.62 110.399 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.2 -43.88 92.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.209 0.528 . . . . 3.19 110.503 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -59.61 -46.9 87.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.83 -0.623 . . . . 3.08 110.742 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG22 ' HZ3' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -56.3 -44.11 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 2.48 110.708 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 m -56.32 -34.0 66.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 3.01 111.216 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -76.55 -51.43 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 3.19 111.195 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.09 -43.12 73.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 4.37 111.371 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.817 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -77.22 68.37 3.33 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.998 0.428 . . . . 4.85 111.035 -179.472 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -163.71 -66.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.65 -0.705 . . . . 9.52 110.124 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.49 -148.48 49.83 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.923 -0.656 . . . . 4.85 112.977 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HD3' ' H ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -92.73 135.92 33.69 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.478 0.18 . . . . 7.28 110.773 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' A' ' 40' ' ' THR . 5.8 t70 -36.96 -61.72 0.53 Allowed 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.255 0.465 . . . . 5.96 112.255 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' H ' ' HD3' ' A' ' 37' ' ' ARG . 3.8 mm? -69.9 18.25 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.225 0.454 . . . . 5.47 112.225 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 38' ' ' ASP . 3.1 m -152.87 13.23 0.52 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.735 0.302 . . . . 4.22 110.243 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -52.73 -55.0 25.31 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.967 -0.635 . . . . 4.04 112.91 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.56 -59.47 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.727 0.269 . . . . 4.39 111.727 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.77 -32.69 69.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.744 0.307 . . . . 4.24 111.15 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -70.29 -39.32 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.368 -0.378 . . . . 3.83 110.269 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD21 ' OD1' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -63.56 -51.25 66.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 4.27 109.699 179.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -53.93 -47.54 71.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 5.49 110.807 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -62.9 -46.69 86.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.486 -0.325 . . . . 4.3 110.262 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HZ3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.3 -45.48 84.12 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 109.714 -0.476 . . . . 4.17 109.714 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' CD2' HH22 ' A' ' 105' ' ' ARG . 7.5 t-80 -48.4 -54.11 15.25 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.427 . . . . 3.6 110.134 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -46.37 64.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.908 -0.587 . . . . 3.17 109.964 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -69.31 -25.8 64.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 4.13 110.329 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -46.79 85.72 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.101 -0.499 . . . . 2.9 109.929 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.48 -47.7 69.55 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.505 -0.554 . . . . 3.17 109.505 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.28 71.3 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.88 -0.6 . . . . 1.35 109.953 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -52.04 -56.72 12.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.803 -0.635 . . . . 2.6 110.442 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.753 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 14.5 mt -55.56 -36.84 67.26 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.285 -0.416 . . . . 2.67 111.216 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -56.92 -36.65 70.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 1.37 111.406 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.87 -33.59 30.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.309 . . . . 1.43 111.816 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.756 ' O ' HD12 ' A' ' 63' ' ' ILE . 1.5 m80 -73.36 -23.25 60.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.458 -0.337 . . . . 2.61 111.509 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.753 ' OE1' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER -68.21 -61.57 3.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.57 -0.286 . . . . 3.01 110.269 -179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.56 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 38.4 Cg_exo -58.67 -34.36 98.86 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.305 2.003 . . . . 1.6 111.748 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.42 -57.83 10.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.148 -0.478 . . . . 1.31 111.258 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.0 mt -66.59 -46.34 86.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.473 -0.33 . . . . 1.08 111.157 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -58.13 -52.77 64.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 3.27 110.465 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.95 -46.91 32.41 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.745 -0.741 . . . . 1.14 111.69 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.176 HG21 ' OE2' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -61.96 -47.13 94.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.986 -0.376 . . . . 1.46 109.986 179.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 88' ' ' LEU . 7.5 tt -51.8 -52.88 45.85 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.849 -0.426 . . . . 2.13 109.849 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.03 -49.27 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 2.24 110.1 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.1 m -51.35 -49.04 62.22 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.372 -0.376 . . . . 1.02 110.338 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' HA2' HD12 ' A' ' 73' ' ' LEU . . . -51.72 -50.48 43.1 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 120.249 -0.977 . . . . 0.79 111.28 179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -57.06 -34.85 68.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.14 0.495 . . . . 3.25 109.687 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -50.64 73.05 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.649 -0.705 . . . . 3.71 110.439 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD12 ' HA2' ' A' ' 70' ' ' GLY . 15.8 mt -49.84 -41.09 44.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.11 0.481 . . . . 1.52 110.405 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -58.55 -48.83 79.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.757 -0.656 . . . . 1.76 111.675 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -38.34 90.75 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.066 -0.254 . . . . 2.34 111.178 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.09 -47.37 86.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.094 0.474 . . . . 2.89 110.324 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -158.11 87.58 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.67 -0.695 . . . . 4.42 110.078 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.22 136.75 48.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 4.87 111.305 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 mt -141.03 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.763 -0.653 . . . . 4.56 109.836 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -140.4 56.85 0.6 Allowed Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.7 -0.682 . . . . 2.87 111.913 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.3 -46.07 3.15 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.843 0.312 . . . . 4.4 111.843 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.9 pm0 -59.08 -49.35 78.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.702 0.287 . . . . 3.0 110.598 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.479 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.0 OUTLIER -53.22 -48.67 67.96 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.969 0.414 . . . . 2.94 110.246 179.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.23 -52.86 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 2.47 110.132 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -41.64 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.834 -0.621 . . . . 3.13 110.702 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -61.15 -50.33 73.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.441 -0.345 . . . . 3.09 110.72 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.4 ' NH1' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -61.79 -46.11 90.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.144 -0.48 . . . . 4.43 111.053 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.531 HD12 HD12 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -66.72 -35.8 80.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.976 0.417 . . . . 1.9 110.449 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.507 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -56.37 -39.89 73.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.97 110.434 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -58.4 -48.64 79.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.106 0.479 . . . . 2.72 110.295 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.849 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 2.7 t80 -52.26 -51.65 57.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.619 . . . . 1.19 111.166 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -60.3 -44.84 96.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.677 -0.409 . . . . 1.37 110.449 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.818 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.3 -50.88 61.31 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.616 0.246 . . . . 1.71 110.46 179.034 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.818 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 1.5 t-80 -59.06 -50.74 72.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.037 0.446 . . . . 2.46 110.053 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -52.87 -44.04 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.712 -0.676 . . . . 2.64 110.109 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -56.66 18.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.679 -0.691 . . . . 2.86 109.579 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -47.88 -46.84 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.875 -0.602 . . . . 3.03 110.081 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -55.79 29.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.945 -0.57 . . . . 2.38 110.442 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -45.66 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 4.07 109.824 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -56.95 -53.41 58.31 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.854 -0.612 . . . . 3.33 110.08 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.13 -43.67 52.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.968 -0.56 . . . . 2.59 110.248 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.29 -55.02 32.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.102 -0.499 . . . . 2.24 110.462 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.26 -49.58 52.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 2.56 110.686 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.89 96.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.932 -0.577 . . . . 2.74 110.928 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NE ' ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -58.07 -36.98 73.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 4.42 110.292 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.437 ' N ' ' NE ' ' A' ' 105' ' ' ARG . . . -54.86 -46.26 77.06 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.899 -0.667 . . . . 3.27 112.21 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 C--O 1.233 0.227 0 CA-C-O 120.817 0.342 . . . . 4.07 110.693 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.649 0.261 . . . . 4.11 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.96 -51.61 68.93 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 120.834 0.349 . . . . 3.73 110.17 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.685 ' HB2' HD21 ' A' ' 73' ' ' LEU . 52.5 t80 -50.55 -35.39 29.51 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.576 -0.45 . . . . 1.14 110.095 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 1.17 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 1.7 t80 -49.97 -46.78 52.77 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 108.859 -0.793 . . . . 2.77 108.859 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 1.069 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -61.66 -50.66 71.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.706 -0.679 . . . . 4.35 109.256 177.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.432 ' HB3' HG13 ' A' ' 66' ' ' VAL . 1.1 m-20 -49.82 -51.18 41.81 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.945 0.402 . . . . 2.1 110.382 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.511 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -51.25 -56.43 12.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.185 0.516 . . . . 2.23 110.089 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 1.17 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -54.61 -49.83 69.52 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.069 -0.514 . . . . 2.46 109.857 179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -49.91 -44.26 50.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 2.49 110.464 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.669 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -49.27 -61.95 1.81 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.846 -0.616 . . . . 3.07 111.26 -179.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 6.2 tp10 -64.8 -38.88 92.46 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.536 -0.542 . . . . 2.5 109.536 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -28.13 63.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.599 -0.728 . . . . 1.59 110.102 179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.619 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 18.6 t-105 -57.28 -58.53 7.83 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 120.167 -0.613 . . . . 2.24 109.58 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -44.44 -56.04 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 1.92 110.538 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -52.57 62.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 3.58 112.211 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.69 -27.9 68.02 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.342 -0.39 . . . . 3.45 111.911 -178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.67 -42.96 39.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.604 -0.517 . . . . 2.77 109.604 179.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -55.18 -40.91 71.23 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 109.674 -0.491 . . . . 3.62 109.674 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.67 88.91 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.966 -0.561 . . . . 3.19 110.072 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 tp -55.44 -46.12 76.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.948 -0.569 . . . . 3.08 110.067 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -60.22 -43.31 93.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.825 -0.625 . . . . 2.48 110.543 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -53.65 -36.1 61.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.198 -0.456 . . . . 3.01 110.304 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -77.88 -59.9 2.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.831 -0.622 . . . . 3.19 110.3 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG3' HH21 ' A' ' 51' ' ' ARG . 3.0 tp10 73.39 -66.41 0.31 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.868 -0.605 . . . . 4.37 111.359 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.958 ' CG ' ' H ' ' A' ' 35' ' ' TYR . 1.9 p-10 -147.97 -79.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.39 . . . . 4.85 110.385 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.958 ' H ' ' CG ' ' A' ' 34' ' ' ASP . 56.7 m-85 -127.48 27.68 5.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.022 -0.535 . . . . 9.52 110.258 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.64 17.71 6.9 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 115.786 -0.643 . . . . 4.85 113.563 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -174.99 -53.01 0.01 OUTLIER 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.984 0.392 . . . . 7.28 111.098 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 1.284 ' OD1' ' CG2' ' A' ' 40' ' ' THR . 0.0 OUTLIER 58.84 4.39 0.39 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.873 -0.603 . . . . 5.96 111.989 -179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 tp 51.28 28.26 4.12 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.868 0.366 . . . . 5.47 110.913 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.284 ' CG2' ' OD1' ' A' ' 38' ' ' ASP . 11.6 t -169.96 99.1 0.3 Allowed 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 116.292 -0.413 . . . . 4.22 110.593 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.97 -48.85 79.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 4.04 112.968 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.2 t -57.27 -60.15 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.248 0.462 . . . . 4.39 112.248 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 -41.16 77.91 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.923 -0.311 . . . . 4.24 110.476 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 1.204 ' HB2' ' OD2' ' A' ' 38' ' ' ASP . 15.3 t-20 -59.86 -47.26 86.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.207 -0.451 . . . . 3.83 110.616 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.45 -48.82 80.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.29 -0.414 . . . . 4.27 109.923 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 tpp85 -52.04 -40.36 60.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 5.49 110.029 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -42.02 92.67 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.905 -0.589 . . . . 4.3 110.012 179.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HZ2' ' HG3' ' A' ' 48' ' ' LYS . 8.7 tttp -57.04 -46.45 82.39 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.121 -0.491 . . . . 4.17 110.088 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -54.09 -55.79 24.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.118 -0.492 . . . . 3.6 110.607 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -58.62 -36.13 73.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.446 . . . . 3.17 110.504 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.412 HH21 ' HG3' ' A' ' 33' ' ' GLU . 3.0 ttm-85 -69.98 -31.35 69.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.953 -0.567 . . . . 4.13 110.153 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.04 -50.42 73.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.95 -0.568 . . . . 2.9 110.001 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -51.24 -54.59 24.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 3.17 109.933 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.68 -48.06 72.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 1.35 110.403 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.898 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.82 -50.38 63.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.831 -0.622 . . . . 2.6 110.541 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 56' ' ' LEU . 8.6 tt -53.54 -41.5 66.48 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.25 -0.432 . . . . 2.67 111.013 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.21 94.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.915 -0.584 . . . . 1.37 110.954 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.22 -20.56 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.967 -0.56 . . . . 1.43 111.412 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.619 ' CD2' ' CZ2' ' A' ' 22' ' ' TRP . 5.5 m80 -66.58 -41.6 88.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.046 -0.524 . . . . 2.61 111.836 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -62.91 -60.46 9.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 121.034 -0.266 . . . . 3.01 111.436 -178.614 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.5 Cg_exo -53.14 -42.92 61.32 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.25 1.967 . . . . 1.6 112.434 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 -60.69 3.1 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.201 -0.454 . . . . 1.31 111.854 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.584 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 3.2 mp -63.74 -41.95 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.08 111.158 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -55.79 -45.18 78.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.573 -0.285 . . . . 3.27 110.459 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -46.15 -47.78 15.34 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.892 -0.671 . . . . 1.14 112.114 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 15' ' ' ASP . 48.1 t -63.07 -51.11 75.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 120.889 0.376 . . . . 1.46 110.183 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.709 HD23 HD22 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -49.37 -55.05 14.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 2.13 110.251 179.216 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.622 ' N ' HD13 ' A' ' 67' ' ' LEU . 30.7 t70 -50.68 -54.33 23.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.262 -0.426 . . . . 2.24 110.578 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.4 m -52.3 -47.55 65.85 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.898 0.38 . . . . 1.02 110.257 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.91 -45.56 49.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.356 -0.926 . . . . 0.79 111.56 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.4 tttm -61.72 -37.84 85.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.05 -0.352 . . . . 3.25 110.05 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' ' OD2' ' A' ' 76' ' ' ASP . 5.2 mmtm -53.1 -46.14 68.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.208 -0.451 . . . . 3.71 110.737 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 12' ' ' PHE . 3.6 mt -50.78 -50.16 56.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.192 0.52 . . . . 1.52 110.066 179.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -42.36 99.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.636 -0.711 . . . . 1.76 111.448 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -70.32 -23.36 62.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 2.34 112.083 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.597 ' OD2' ' O ' ' A' ' 72' ' ' LYS . 23.3 m-20 -82.58 -53.12 6.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.572 0.212 . . . . 2.89 111.572 -178.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.7 p30 179.82 -32.23 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.616 0.246 . . . . 4.42 110.919 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.413 ' N ' ' OD1' ' A' ' 77' ' ' ASN . 8.9 m -75.57 68.63 2.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.349 -0.387 . . . . 4.87 110.545 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.4 mt -63.03 91.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-N 116.24 -0.436 . . . . 4.56 111.178 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -139.0 30.92 2.42 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.899 -0.591 . . . . 2.87 111.913 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -40.73 -59.41 1.4 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.217 0.451 . . . . 4.4 112.217 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -47.36 -52.35 16.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.77 0.319 . . . . 3.0 111.235 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -53.37 -49.91 66.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.36 -0.382 . . . . 2.94 110.728 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.2 mt -58.13 -44.86 88.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.992 0.425 . . . . 2.47 110.231 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -51.06 -46.78 61.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 3.13 110.789 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -54.27 -54.69 36.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.313 -0.403 . . . . 3.09 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.816 0.341 . . . . 4.43 111.043 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 92' ' ' VAL . 11.6 tp -64.69 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.412 -0.358 . . . . 1.9 110.773 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.35 -31.41 72.56 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.515 -0.311 . . . . 0.97 110.542 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.32 -48.42 64.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.05 -0.523 . . . . 2.72 109.949 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.669 ' CE2' ' HB2' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -57.88 -49.96 74.94 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.845 -0.616 . . . . 1.19 110.031 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 88' ' ' LEU . 4.6 t -60.19 -45.35 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.37 110.009 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -50.75 -51.48 49.77 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.21 -0.45 . . . . 1.71 110.55 179.35 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.2 -47.19 77.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.513 0.673 . . . . 2.46 109.469 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.544 ' CZ2' ' HB3' ' A' ' 59' ' ' HIS . 5.4 t-105 -54.49 -36.76 64.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.926 -1.034 . . . . 2.64 112.154 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -64.9 -47.69 76.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.745 -0.382 . . . . 2.86 110.907 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 2.0 pt-20 -61.9 -36.29 80.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.801 -0.444 . . . . 3.03 109.801 179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 3.6 mp -61.55 -56.32 21.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.814 -0.63 . . . . 2.38 110.352 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -53.0 -46.94 68.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.8 -0.444 . . . . 4.07 109.8 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -55.15 -55.83 26.72 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 116.18 -0.464 . . . . 3.33 110.362 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.98 -46.58 61.4 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.413 -0.358 . . . . 2.59 110.482 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.84 -51.11 66.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.097 -0.501 . . . . 2.24 110.619 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -46.72 72.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.014 -0.539 . . . . 2.56 110.829 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -45.7 86.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.076 -0.511 . . . . 2.74 110.646 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -45.0 81.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.008 -0.542 . . . . 4.42 110.466 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.41 -31.72 74.46 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.994 -0.622 . . . . 3.27 112.535 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 4.07 110.552 -179.835 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.998 0.428 . . . . 4.11 110.213 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -50.1 -48.84 53.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.81 -0.632 . . . . 3.73 110.846 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD2' ' CD1' ' A' ' 73' ' ' LEU . 21.0 t80 -52.43 -49.84 63.76 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 120.305 -0.558 . . . . 1.14 109.843 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -47.88 -49.0 31.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.096 0.474 . . . . 2.77 109.731 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.557 ' HA ' ' NH1' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -61.67 -50.7 71.45 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.661 -0.699 . . . . 4.35 110.164 179.083 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.93 -44.34 60.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 2.1 110.147 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -60.03 3.96 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.156 0.503 . . . . 2.23 110.515 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.769 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -56.2 -41.79 76.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.827 -0.624 . . . . 2.46 110.162 179.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 4.2 m-20 -58.48 -42.25 87.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 2.49 110.534 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HG2' ' CE2' ' A' ' 91' ' ' PHE . 1.6 tp10 -63.17 -55.55 24.15 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.242 -0.651 . . . . 3.07 109.242 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.21 -47.07 17.93 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.037 -0.529 . . . . 2.5 109.89 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.1 m -59.81 -47.91 83.81 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.325 -0.398 . . . . 1.59 110.234 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.64 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 7.2 t90 -55.47 -38.86 69.65 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.287 -0.415 . . . . 2.24 110.651 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG12 ' CE3' ' A' ' 22' ' ' TRP . 1.8 mm -63.68 -54.73 28.6 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.312 0 N-CA-C 110.026 -0.361 . . . . 1.92 110.026 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -43.19 65.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.2 0.524 . . . . 3.58 109.723 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.08 -45.14 86.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.558 -0.746 . . . . 3.45 110.124 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.673 ' HG3' ' NE2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -59.78 -46.44 89.18 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.96 -0.564 . . . . 2.77 109.816 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.457 ' NZ ' HD22 ' A' ' 101' ' ' LEU . 1.1 tmtm? -54.83 -46.18 74.55 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 3.62 109.837 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.8 -44.09 73.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.902 -0.59 . . . . 3.19 109.781 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -46.07 89.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 3.08 110.348 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.15 -42.75 36.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.156 0.503 . . . . 2.48 110.062 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.56 -27.9 63.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.483 -0.78 . . . . 3.01 110.685 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.592 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 59.3 m -74.43 -40.43 61.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 3.19 110.915 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -75.39 88.55 2.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 4.37 110.722 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' OD1' ' O ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -105.81 153.77 21.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 4.85 110.847 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 92.2 m-85 29.51 -99.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.943 -0.571 . . . . 9.52 111.565 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.14 -74.55 0.22 Allowed Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.006 -0.616 . . . . 4.85 112.064 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.44 148.56 44.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.828 0.347 . . . . 7.28 110.728 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.62 31.98 0.74 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.9 -0.591 . . . . 5.96 110.921 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.38 -18.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 5.47 110.058 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.8 t -150.46 27.91 0.73 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.808 -0.633 . . . . 4.22 110.524 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.84 -52.85 2.52 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 116.074 -0.512 . . . . 4.04 113.621 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.9 t -48.18 -60.26 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.832 0.316 . . . . 4.39 111.812 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -62.57 -28.43 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 4.24 110.625 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -38.17 81.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.924 -0.58 . . . . 3.83 110.147 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.7 tp -65.76 -53.55 39.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.719 -0.673 . . . . 4.27 109.5 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -50.36 -43.82 54.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.79 -0.641 . . . . 5.49 110.733 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -63.34 -50.84 68.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 4.3 110.437 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' O ' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -55.3 -42.7 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.759 -0.46 . . . . 4.17 109.759 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -48.12 -55.22 10.82 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.325 -0.398 . . . . 3.6 110.133 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -43.78 68.03 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.173 -0.467 . . . . 3.17 110.072 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -33.44 75.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.972 -0.558 . . . . 4.13 110.23 179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.901 HD21 ' HB1' ' A' ' 102' ' ' ALA . 16.9 tp -62.5 -52.79 62.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.749 -0.66 . . . . 2.9 109.849 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.52 -47.06 63.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 3.17 110.227 179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.58 54.72 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.181 -0.463 . . . . 1.35 110.557 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -55.59 -49.07 73.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 2.6 110.052 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -48.59 -45.33 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.443 -0.799 . . . . 2.67 110.955 179.357 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -67.27 -42.43 83.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.711 -0.677 . . . . 1.37 111.436 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -26.96 68.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.95 0.352 . . . . 1.43 111.95 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.673 ' NE2' ' HG3' ' A' ' 26' ' ' LYS . 1.7 m80 -71.48 -37.55 71.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.586 -0.279 . . . . 2.61 111.331 -179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.8 OUTLIER -49.58 -62.52 2.42 Favored Pre-proline 0 CA--C 1.53 0.185 0 C-N-CA 120.9 -0.32 . . . . 3.01 110.457 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 72.7 Cg_exo -49.8 -46.05 29.26 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.67 2.246 . . . . 1.6 112.599 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.58 72.91 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.115 -0.493 . . . . 1.31 111.318 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 59' ' ' HIS . 4.8 mt -80.79 -32.3 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 1.08 111.473 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.788 ' O ' ' OD2' ' A' ' 68' ' ' ASP . 2.9 mm100 -53.36 -51.87 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 3.27 109.605 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.91 -52.17 22.21 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.518 -0.848 . . . . 1.14 111.375 178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.18 -55.9 10.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.839 0.352 . . . . 1.46 110.488 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.3 -51.85 56.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 2.13 111.225 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.788 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 10.7 m-20 -56.61 -46.44 80.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 2.24 110.934 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 m -62.28 -49.4 75.82 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.81 0.338 . . . . 1.02 110.278 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.41 -42.75 75.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.72 -0.752 . . . . 0.79 112.0 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -60.52 -42.38 96.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.843 -0.429 . . . . 3.25 109.843 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -48.81 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.794 -0.639 . . . . 3.71 110.932 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 12' ' ' PHE . 4.9 mt -58.48 -41.33 85.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.282 -0.417 . . . . 1.52 110.842 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.0 m -65.6 -45.89 81.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.059 -0.518 . . . . 1.76 111.73 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -47.68 -43.36 26.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.38 -0.373 . . . . 2.34 111.856 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -88.7 -42.51 11.93 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.913 0.338 . . . . 2.89 111.913 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -75.3 133.3 41.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.103 0.478 . . . . 4.42 111.859 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -91.27 -74.0 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.793 -0.64 . . . . 4.87 109.548 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.46 102.61 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.772 -0.649 . . . . 4.56 110.273 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.84 -27.51 3.33 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.97 -0.633 . . . . 2.87 112.004 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -46.17 -46.96 17.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.897 0.379 . . . . 4.4 110.826 179.568 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -55.32 -53.16 59.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 3.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -53.08 -46.72 68.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.35 -0.386 . . . . 2.94 110.186 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.9 mm -55.72 -53.56 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.503 . . . . 2.47 110.676 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -41.65 74.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 3.13 111.035 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -62.42 -47.04 85.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 3.09 110.577 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -61.19 -48.98 79.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.929 0.395 . . . . 4.43 110.211 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 92' ' ' VAL . 57.7 tp -57.03 -46.0 82.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 1.9 110.097 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.4 -33.44 73.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.961 -0.563 . . . . 0.97 110.934 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -69.77 -38.82 76.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 2.72 110.068 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 11.3 t80 -59.43 -49.84 76.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.737 -0.468 . . . . 1.19 109.737 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 88' ' ' LEU . 1.5 t -49.28 -48.84 18.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 1.37 110.342 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.21 -56.17 18.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.659 -0.497 . . . . 1.71 109.659 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 -50.14 -56.39 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.085 0.469 . . . . 2.46 110.496 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.461 ' CZ3' HD22 ' A' ' 98' ' ' LEU . 11.1 t-105 -51.82 -46.79 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.829 -0.623 . . . . 2.64 110.368 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -50.29 67.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 2.86 109.656 178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 1.227 ' OE1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -51.13 -49.73 60.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.835 -0.62 . . . . 3.03 110.253 179.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD22 ' CZ3' ' A' ' 95' ' ' TRP . 9.5 tt -55.84 -49.36 73.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.352 -0.385 . . . . 2.38 110.217 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -51.15 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 4.07 110.414 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -54.39 -54.16 44.29 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.822 0.344 . . . . 3.33 110.567 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.227 ' CD1' ' OE1' ' A' ' 97' ' ' GLU . 1.3 mt -52.77 -44.01 66.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.211 -0.45 . . . . 2.59 110.826 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.901 ' HB1' HD21 ' A' ' 52' ' ' LEU . . . -56.01 -49.78 72.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.912 0.387 . . . . 2.24 110.47 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.16 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 2.56 110.376 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.47 -51.12 63.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.917 -0.583 . . . . 2.74 110.334 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -46.17 -47.91 17.6 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.012 -0.54 . . . . 4.42 110.253 179.441 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -53.69 -49.68 56.93 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.772 -0.728 . . . . 3.27 111.62 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.913 0.387 . . . . 4.07 110.182 179.142 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.2 m170 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.614 0.245 . . . . 4.11 111.311 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -65.43 -47.84 74.81 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.749 0.309 . . . . 3.73 110.21 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -54.34 -39.94 67.58 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.24 -0.584 . . . . 1.14 109.718 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -47.78 -52.94 16.88 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.362 -0.607 . . . . 2.77 109.362 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.86 ' NH2' ' OD2' ' A' ' 18' ' ' ASP . 5.3 ttp85 -59.53 -53.0 63.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.761 -0.654 . . . . 4.35 109.413 178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 1.221 ' CA ' ' OD2' ' A' ' 18' ' ' ASP . 5.3 m-20 -47.27 -44.26 22.91 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 121.001 0.429 . . . . 2.1 110.463 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.645 ' CA ' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -53.43 -59.55 4.43 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.211 -0.45 . . . . 2.23 109.86 179.604 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.03 -45.66 71.66 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.568 -0.531 . . . . 2.46 109.568 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.221 ' OD2' ' CA ' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -46.53 -42.36 15.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.914 -0.584 . . . . 2.49 110.149 179.089 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.698 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -52.79 -68.81 0.14 Allowed 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.448 0.642 . . . . 3.07 110.728 179.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -51.72 -37.0 49.11 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.22 -0.9 . . . . 2.5 109.573 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -62.9 -34.65 77.88 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.577 -0.738 . . . . 1.59 109.724 178.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.631 ' CZ2' ' CD2' ' A' ' 59' ' ' HIS . 24.1 t-105 -54.71 -59.65 4.42 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.106 -0.702 . . . . 2.24 109.106 178.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.8 mm -39.11 -55.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.303 -0.408 . . . . 1.92 110.76 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 21' ' ' SER . 0.7 OUTLIER -56.7 -51.22 69.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.04 0.448 . . . . 3.58 110.999 179.557 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -40.85 79.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 3.45 111.842 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -46.95 65.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.844 -0.428 . . . . 2.77 109.844 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.092 0.472 . . . . 3.62 109.887 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -63.91 -45.62 88.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.801 -0.636 . . . . 3.19 109.856 179.471 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.06 -48.09 64.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.934 -0.575 . . . . 3.08 110.255 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.472 HG22 ' NH2' ' A' ' 51' ' ' ARG . 18.7 t -58.0 -48.68 83.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.745 -0.662 . . . . 2.48 110.849 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 m -63.07 -26.0 68.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.05 -0.523 . . . . 3.01 111.646 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.9 m -76.63 -54.02 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.735 0.302 . . . . 3.19 110.788 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -110.67 94.52 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.962 -0.563 . . . . 4.37 110.664 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.817 ' OD1' ' O ' ' A' ' 34' ' ' ASP . 2.6 p30 -159.22 95.61 1.26 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.302 -0.408 . . . . 4.85 110.989 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 91.6 m-85 51.78 72.78 0.36 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.02 -0.537 . . . . 9.52 111.358 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.24 -61.71 6.83 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.881 -0.676 . . . . 4.85 112.746 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' THR . 31.7 ttp180 -135.28 135.47 40.88 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-O 120.399 0.142 . . . . 7.28 110.693 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' C ' ' H ' ' A' ' 40' ' ' THR . 0.4 OUTLIER -39.87 -49.52 2.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.128 -0.487 . . . . 5.96 112.067 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.25 10.27 0.09 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.509 -0.314 . . . . 5.47 111.841 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.476 ' H ' ' C ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -134.28 17.0 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.72 -0.218 . . . . 4.22 111.042 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.02 -61.2 6.35 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.798 -0.715 . . . . 4.04 113.38 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG13 ' H ' ' A' ' 43' ' ' GLN . 2.8 p -57.34 -54.25 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 111.84 0.311 . . . . 4.39 111.84 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' H ' HG13 ' A' ' 42' ' ' VAL . 3.8 mp0 -56.91 -37.31 71.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.991 0.424 . . . . 4.24 110.533 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' ND2' ' H ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -66.11 -42.52 89.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.978 -0.556 . . . . 3.83 110.056 179.381 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.77 -53.06 62.09 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.317 -0.623 . . . . 4.27 109.317 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -40.05 71.57 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.066 -0.716 . . . . 5.49 109.066 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -46.6 82.88 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.428 -0.806 . . . . 4.3 109.694 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -49.93 74.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.742 -0.663 . . . . 4.17 109.976 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -51.61 -50.06 60.97 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.659 -0.497 . . . . 3.6 109.659 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -40.43 74.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.972 -0.558 . . . . 3.17 109.745 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' NH2' HG22 ' A' ' 30' ' ' VAL . 21.8 ttp180 -66.54 -32.86 74.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.532 -0.758 . . . . 4.13 109.806 179.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.92 -51.84 67.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.889 -0.596 . . . . 2.9 110.282 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.668 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.7 mm-40 -53.0 -51.06 62.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.228 -0.442 . . . . 3.17 109.939 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.5 -44.5 89.45 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.968 -0.56 . . . . 1.35 110.045 179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.795 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -52.93 -53.64 46.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.624 -0.717 . . . . 2.6 110.273 179.043 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -35.58 74.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 2.67 111.432 -179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -62.99 -42.09 99.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.2 -0.454 . . . . 1.37 110.463 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.45 -23.43 40.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.82 -0.627 . . . . 1.43 111.546 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.637 ' CD2' ' NE1' ' A' ' 95' ' ' TRP . 17.0 m80 -70.63 -42.94 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 2.61 111.35 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 1.105 ' OE1' ' NE2' ' A' ' 64' ' ' GLN . 2.1 tp10 -56.73 -60.39 9.52 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 3.01 111.564 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 35.8 Cg_exo -59.41 -48.85 12.11 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 121.709 1.606 . . . . 1.6 112.608 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.41 -55.31 30.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.108 0.48 . . . . 1.31 111.752 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -58.91 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.867 -0.606 . . . . 1.08 111.558 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 1.105 ' NE2' ' OE1' ' A' ' 60' ' ' GLU . 2.8 mp0 -49.16 -46.78 45.77 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.5 -0.318 . . . . 3.27 110.493 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.4 -54.02 7.7 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.794 -0.717 . . . . 1.14 112.052 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.672 HG12 HD11 ' A' ' 88' ' ' LEU . 63.7 t -58.06 -51.62 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.57 -0.452 . . . . 1.46 110.58 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 tp -50.87 -51.89 47.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 2.13 111.076 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.689 ' OD2' ' O ' ' A' ' 64' ' ' GLN . 9.6 m-20 -54.12 -50.03 67.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 2.24 110.251 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.8 m -57.31 -51.73 68.22 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.17 -0.468 . . . . 1.02 110.496 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -50.89 -42.54 47.05 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.495 -0.86 . . . . 0.79 111.439 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -42.48 99.16 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.447 -0.575 . . . . 3.25 109.447 178.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.884 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 26.9 mmtp -63.97 -33.26 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.613 -0.721 . . . . 3.71 110.681 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mp -61.33 -43.15 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.516 . . . . 1.52 109.918 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 m -74.58 -32.36 62.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.751 -0.659 . . . . 1.76 110.622 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -68.12 -38.12 81.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.86 -0.609 . . . . 2.34 111.589 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.884 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -94.42 -45.42 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.427 -0.351 . . . . 2.89 111.357 -179.384 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.26 173.11 6.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.946 -0.57 . . . . 4.42 111.099 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 p -123.03 2.16 9.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 4.87 111.252 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 79' ' ' ILE . 6.7 tp -51.31 97.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 120.896 0.379 . . . . 4.56 111.319 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 30.34 57.03 0.23 Allowed Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.54 -0.755 . . . . 2.87 113.861 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.68 -48.16 29.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.686 0.243 . . . . 4.4 111.451 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.53 -43.68 89.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.694 0.283 . . . . 3.0 110.723 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 86' ' ' GLN . 1.6 tm-20 -57.06 -50.48 72.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.959 0.409 . . . . 2.94 110.035 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.0 mt -58.19 -45.94 88.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 2.47 109.84 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -53.88 -50.23 66.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.432 -0.804 . . . . 3.13 110.99 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.548 ' HG3' ' N ' ' A' ' 87' ' ' ARG . 0.4 OUTLIER -59.86 -42.89 94.67 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.683 0.278 . . . . 3.09 110.484 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 86' ' ' GLN . 0.0 OUTLIER -59.67 -50.22 74.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 4.43 110.74 179.522 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.672 HD11 HG12 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -58.32 -40.54 82.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.932 0.396 . . . . 1.9 110.742 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.48 -30.34 66.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.058 -0.519 . . . . 0.97 111.39 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.556 HE21 ' CE1' ' A' ' 94' ' ' HIS . 32.9 tp60 -66.75 -46.2 76.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.958 0.409 . . . . 2.72 110.389 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 66.4 t80 -53.79 -48.81 69.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.156 0.503 . . . . 1.19 109.895 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 t -56.54 -49.82 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 1.37 110.212 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -53.12 33.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.843 0.354 . . . . 1.71 110.256 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.556 ' CE1' HE21 ' A' ' 90' ' ' GLN . 26.4 m-70 -53.41 -56.84 13.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 2.46 110.045 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.637 ' NE1' ' CD2' ' A' ' 59' ' ' HIS . 27.1 t90 -51.79 -44.09 63.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.955 -0.566 . . . . 2.64 110.574 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -49.66 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 2.86 110.462 179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.76 -53.23 51.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.018 0.437 . . . . 3.03 110.488 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.8 mt -54.22 -46.26 72.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.982 -0.553 . . . . 2.38 110.352 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -56.56 -49.3 75.22 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.422 -0.584 . . . . 4.07 109.422 179.198 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.94 -54.54 19.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.497 -0.774 . . . . 3.33 110.134 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.6 tp -51.89 -52.99 45.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 2.59 110.182 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.74 -46.31 50.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.783 -0.644 . . . . 2.24 111.052 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.73 -50.99 64.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 2.56 110.754 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.28 85.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.236 -0.438 . . . . 2.74 110.426 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.2 ttt85 -55.59 -44.1 76.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.886 -0.597 . . . . 4.42 110.12 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -52.3 -54.32 27.27 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 115.768 -0.651 . . . . 3.27 112.133 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 . . . . . 0 C--N 1.332 -0.179 0 N-CA-C 110.163 -0.31 . . . . 4.07 110.163 179.512 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.304 . . . . 4.11 110.82 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -56.02 -44.8 79.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 3.73 110.493 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 69' ' ' THR . 43.6 t80 -53.25 -49.81 66.1 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.355 -0.384 . . . . 1.14 110.867 -179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.947 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 18.3 m-85 -49.44 -47.42 48.19 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.669 -0.413 . . . . 2.77 109.918 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -59.86 -52.99 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 4.35 109.804 178.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 1.125 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 5.4 m-20 -50.54 -45.6 57.0 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.285 -0.416 . . . . 2.1 110.618 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -59.56 -54.9 41.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.34 -0.391 . . . . 2.23 110.024 179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.947 ' OD1' ' O ' ' A' ' 13' ' ' PHE . 1.3 m-20 -53.21 -46.12 68.93 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.698 -0.482 . . . . 2.46 109.698 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.125 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -52.56 -53.32 47.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.551 -0.295 . . . . 2.49 110.497 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 12.4 pt-20 -60.31 -56.2 24.34 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.888 -0.412 . . . . 3.07 109.888 179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 4.3 mm-40 -47.12 -40.26 15.12 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.431 -0.581 . . . . 2.5 109.431 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -38.23 89.55 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.81 -0.632 . . . . 1.59 110.05 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.415 ' HB3' ' O ' ' A' ' 19' ' ' GLU . 66.2 t90 -54.89 -45.98 74.72 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 109.553 -0.536 . . . . 2.24 109.553 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mm -50.25 -56.92 2.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 121.598 0.713 . . . . 1.92 109.116 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -41.45 69.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.031 -0.986 . . . . 3.58 110.991 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -63.15 -43.35 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 3.45 110.823 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -61.59 -50.07 74.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.725 -0.472 . . . . 2.77 109.725 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -54.69 -46.42 74.12 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.694 -0.484 . . . . 3.62 109.694 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.21 -35.34 78.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.515 . . . . 3.19 110.254 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.553 HD13 ' CZ ' ' A' ' 51' ' ' ARG . 22.1 tp -58.75 -54.2 49.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.208 -0.451 . . . . 3.08 109.812 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 t -57.71 -37.9 61.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-O 121.239 0.543 . . . . 2.48 109.733 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -66.41 -31.44 72.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.183 -0.917 . . . . 3.01 110.477 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.0 t -81.92 -30.0 32.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.74 -0.664 . . . . 3.19 111.439 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -62.76 -56.51 16.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 4.37 111.669 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 39.23 -87.09 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.486 0.491 . . . . 4.85 111.743 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 33' ' ' GLU . 36.4 p90 -160.96 -14.88 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.547 -0.297 . . . . 9.52 111.013 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.48 -138.28 33.03 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 121.185 -0.531 . . . . 4.85 113.151 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.91 115.32 4.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.737 0.303 . . . . 7.28 111.32 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.38 -52.82 63.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.207 -0.451 . . . . 5.96 110.025 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.9 -68.19 0.22 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.626 . . . . 5.47 110.941 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 40' ' ' THR . 12.5 t -97.34 55.44 1.27 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.177 0.513 . . . . 4.22 110.637 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.12 -42.95 88.56 Favored Glycine 0 C--N 1.331 0.255 0 CA-C-N 115.827 -0.624 . . . . 4.04 113.409 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.652 HG13 ' H ' ' A' ' 43' ' ' GLN . 7.0 p -59.35 -60.37 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.848 0.314 . . . . 4.39 111.848 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.652 ' H ' HG13 ' A' ' 42' ' ' VAL . 1.3 tm0? -58.27 -36.52 73.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.096 0.474 . . . . 4.24 110.069 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -60.15 -50.98 71.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 3.83 110.569 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.92 -49.3 78.24 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.031 -0.359 . . . . 4.27 110.031 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -42.4 62.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.116 -0.493 . . . . 5.49 110.608 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -46.68 89.64 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.351 -0.386 . . . . 4.3 110.221 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -60.79 -45.44 94.36 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.774 -0.454 . . . . 4.17 109.774 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -50.2 -50.17 50.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.759 -0.655 . . . . 3.6 110.71 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -49.99 -49.4 50.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.925 0.393 . . . . 3.17 110.658 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.553 ' CZ ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.01 -39.6 82.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 4.13 110.084 179.25 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.03 -52.38 65.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 2.9 110.205 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.678 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . 1.4 mm-40 -49.17 -44.52 42.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 3.17 110.968 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.93 -56.23 23.61 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.06 0.457 . . . . 1.35 110.235 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.8 -39.64 65.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.772 -0.649 . . . . 2.6 110.58 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 59' ' ' HIS . 2.1 tp -62.19 -50.27 72.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 2.67 110.824 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -63.13 -27.77 69.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 1.37 111.92 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.72 -38.8 53.64 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.737 0.643 . . . . 1.43 112.737 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.643 ' CD2' ' HE1' ' A' ' 95' ' ' TRP . 28.0 p-80 -75.69 -20.7 58.21 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 112.554 0.576 . . . . 2.61 112.554 -178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.605 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.4 OUTLIER -60.69 -62.17 6.5 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 108.364 -0.976 . . . . 3.01 108.364 178.075 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.605 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 53.1 Cg_exo -58.59 -39.97 78.04 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.578 2.185 . . . . 1.6 111.537 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.86 -45.54 94.13 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.737 -0.665 . . . . 1.31 111.365 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 64' ' ' GLN . 1.2 mp -60.48 -54.51 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.08 109.745 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.503 ' N ' HG22 ' A' ' 63' ' ' ILE . 27.2 tt0 -47.8 -52.21 19.69 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.888 -0.596 . . . . 3.27 110.627 179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.13 -49.21 37.64 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.675 -0.774 . . . . 1.14 112.043 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 62' ' ' ALA . 3.3 t -55.9 -50.65 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.737 0.303 . . . . 1.46 110.468 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.71 -51.19 66.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.246 -0.434 . . . . 2.13 110.622 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -52.19 -51.15 59.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 2.24 110.914 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.479 ' HB ' ' CD1' ' A' ' 12' ' ' PHE . 2.1 m -61.26 -49.4 77.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.896 0.379 . . . . 1.02 110.301 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.4 -39.86 52.84 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.627 -0.797 . . . . 0.79 111.522 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -44.18 51.34 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.054 0.454 . . . . 3.25 110.013 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -53.89 50.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.67 -0.695 . . . . 3.71 109.941 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.3 mt -50.28 -42.89 53.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 1.52 110.401 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.17 -53.26 53.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.008 -0.542 . . . . 1.76 110.666 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.22 -45.12 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.34 111.385 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.67 43.98 1.05 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.003 0.371 . . . . 2.89 112.003 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -45.33 134.12 6.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.509 0.195 . . . . 4.42 110.632 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.6 105.76 1.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 4.87 111.132 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.641 HG22 ' N ' ' A' ' 80' ' ' GLY . 70.8 mt 34.67 -109.63 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.028 -0.533 . . . . 4.56 111.786 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.641 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -31.08 -37.2 0.02 OUTLIER Glycine 0 C--N 1.337 0.604 0 N-CA-C 114.092 0.397 . . . . 2.87 114.092 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -46.9 -36.13 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.93 0.345 . . . . 4.4 111.93 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.33 -48.1 82.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.693 -0.231 . . . . 3.0 111.045 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.1 -49.93 72.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.109 0.481 . . . . 2.94 109.945 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -55.58 -51.69 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 2.47 110.284 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.34 -45.22 72.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 3.13 110.96 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.391 -0.368 . . . . 3.09 110.229 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.409 ' NH1' ' SD ' ' A' ' 16' ' ' MET . 28.0 ttp85 -59.6 -50.8 72.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 4.43 110.173 179.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -45.0 78.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.992 0.425 . . . . 1.9 110.091 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.795 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -58.13 -38.16 76.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.039 -0.528 . . . . 0.97 110.055 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -64.31 -44.08 92.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.246 0.546 . . . . 2.72 109.546 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 91' ' ' PHE . 9.0 t80 -55.53 -49.48 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.694 -0.684 . . . . 1.19 110.617 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.795 HG12 ' O ' ' A' ' 89' ' ' ALA . 8.6 p -56.25 -46.87 81.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 120.741 -0.384 . . . . 1.37 110.629 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.915 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -52.26 -52.98 49.47 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.454 -0.573 . . . . 1.71 109.454 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.915 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 7.3 m-70 -52.25 -56.73 12.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.787 -0.642 . . . . 2.46 109.965 178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.643 ' HE1' ' CD2' ' A' ' 59' ' ' HIS . 13.1 t90 -45.86 -43.07 13.24 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.086 -0.506 . . . . 2.64 111.356 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 7.3 mttt -53.96 -53.21 55.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.873 -0.331 . . . . 2.86 110.656 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.08 -51.99 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.034 0.445 . . . . 3.03 110.639 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 50.5 mt -58.31 -36.5 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.017 -0.538 . . . . 2.38 110.802 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -61.43 -50.48 72.64 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.846 -0.428 . . . . 4.07 109.846 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -57.51 -50.26 73.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.042 -0.526 . . . . 3.33 109.847 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.84 -48.59 75.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.732 -0.667 . . . . 2.59 110.435 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.95 -45.3 74.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 2.24 110.891 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.88 -50.33 72.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.282 -0.417 . . . . 2.56 110.397 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.33 84.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.989 -0.55 . . . . 2.74 110.57 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.6 tpt85 -57.83 -45.82 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.655 . . . . 4.42 110.359 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.97 -29.41 69.11 Favored Glycine 0 CA--C 1.517 0.173 0 C-N-CA 120.667 -0.778 . . . . 3.27 112.661 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.644 0.259 . . . . 4.07 111.581 -179.364 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.433 ' CE1' ' HG2' ' A' ' 11' ' ' GLN . 12.3 p80 . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.488 0.185 . . . . 4.11 111.249 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 1.097 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 15.8 mm100 -66.34 -39.78 89.44 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.958 -0.386 . . . . 3.73 109.958 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' O ' ' CG ' ' A' ' 15' ' ' ASP . 34.9 t80 -53.28 -50.63 64.47 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.201 -0.454 . . . . 1.14 110.037 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.47 -52.21 55.43 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.429 -0.35 . . . . 2.77 110.319 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -53.34 39.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 4.35 110.019 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 1.097 ' OD1' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -51.79 -53.57 38.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.002 0.43 . . . . 2.1 109.946 178.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -52.19 36.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.885 -0.598 . . . . 2.23 110.632 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -53.93 -51.84 62.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 2.46 110.467 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.505 -0.316 . . . . 2.49 110.755 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -65.43 -56.62 11.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.332 . . . . 3.07 110.181 179.474 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -45.97 -42.68 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.324 -0.398 . . . . 2.5 110.25 178.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -40.98 67.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.714 -0.476 . . . . 1.59 109.714 178.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.603 ' CH2' ' CD2' ' A' ' 59' ' ' HIS . 26.1 t90 -56.1 -40.2 73.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.659 -0.7 . . . . 2.24 111.754 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 20' ' ' GLU . 7.3 tp -64.56 -52.44 54.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.157 -0.617 . . . . 1.92 110.414 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -56.57 -43.03 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.977 0.418 . . . . 3.58 110.455 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -37.27 73.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.798 -0.637 . . . . 3.45 111.075 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' HG2' ' NE2' ' A' ' 59' ' ' HIS . 11.6 tptp -68.21 -41.83 80.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.343 -0.389 . . . . 2.77 110.16 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HB2' HD11 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -53.39 -46.44 69.68 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.189 0.518 . . . . 3.62 109.908 178.627 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.6 tp -61.19 -39.64 90.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.026 -0.534 . . . . 3.19 110.207 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.63 -45.28 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.938 -0.574 . . . . 3.08 110.412 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.722 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 59.6 t -52.54 -46.95 48.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.007 0.432 . . . . 2.48 110.392 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.973 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 1.8 m -56.39 -34.35 66.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.705 -0.68 . . . . 3.01 111.01 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 m -77.25 -44.18 30.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 3.19 111.033 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -61.93 -36.93 82.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 4.37 110.943 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.973 ' OD1' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -70.58 -159.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 4.85 111.536 -179.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -42.23 94.84 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.832 -0.622 . . . . 9.52 112.17 -179.139 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.96 2.16 17.16 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.775 -0.648 . . . . 4.85 112.044 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.76 90.96 1.89 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.576 0.227 . . . . 7.28 110.493 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -35.9 -48.74 0.59 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.178 -0.465 . . . . 5.96 112.211 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tt -38.68 -32.13 0.07 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.704 0.631 . . . . 5.47 112.704 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 40' ' ' THR . 12.4 t -139.29 43.21 2.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.739 0.304 . . . . 4.22 111.041 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -49.69 -46.73 38.73 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.819 -0.705 . . . . 4.04 112.946 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -57.24 -59.96 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 111.962 0.356 . . . . 4.39 111.962 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.409 ' H ' HG23 ' A' ' 42' ' ' VAL . 3.7 tp-100 -55.39 -39.63 70.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 4.24 110.254 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.44 ' ND2' ' HE3' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -58.39 -50.95 71.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 3.83 109.653 179.165 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -54.59 -55.88 24.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.382 -0.826 . . . . 4.27 110.653 179.383 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.82 -33.45 68.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.876 -0.602 . . . . 5.49 111.26 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HE3' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -71.54 -33.01 68.78 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.468 -0.567 . . . . 4.3 109.468 179.103 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -39.65 91.71 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.236 -0.653 . . . . 4.17 109.236 178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -46.83 -58.75 3.6 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.946 0.403 . . . . 3.6 110.176 179.094 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -56.58 -45.95 81.06 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.139 -0.482 . . . . 3.17 110.75 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 mmm-85 -63.74 -27.04 68.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 4.13 110.321 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.52 -54.46 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.878 -0.601 . . . . 2.9 110.757 179.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HG2' ' N ' ' A' ' 54' ' ' ALA . 2.1 pt-20 -53.88 -43.95 70.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.52 -0.309 . . . . 3.17 110.571 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.481 ' N ' ' HG2' ' A' ' 53' ' ' GLU . . . -62.25 -48.69 78.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.109 0.481 . . . . 1.35 109.871 179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.5 mt-10 -54.75 -53.52 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.628 -0.715 . . . . 2.6 110.889 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.603 HD23 ' CH2' ' A' ' 95' ' ' TRP . 23.6 mt -55.53 -40.06 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.4 -0.363 . . . . 2.67 111.563 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 61' ' ' PRO . . . -57.85 -43.38 85.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.27 -0.423 . . . . 1.37 111.663 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.01 -26.41 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.89 0.7 . . . . 1.43 112.89 -178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.835 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.3 m80 -77.18 -33.92 56.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 2.61 111.551 -178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.5 OUTLIER -56.77 -60.8 8.31 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 3.01 110.841 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.525 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 50.4 Cg_exo -55.4 -40.19 86.93 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.394 2.063 . . . . 1.6 112.414 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.43 -49.43 74.6 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.287 -0.415 . . . . 1.31 111.249 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 59' ' ' HIS . 3.0 mt -70.65 -45.51 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 1.08 110.796 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -46.57 70.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 3.27 110.522 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -48.58 -49.96 25.96 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.736 -0.745 . . . . 1.14 111.717 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 67' ' ' LEU . 1.2 t -57.86 -50.67 76.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.931 0.395 . . . . 1.46 110.321 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' N ' HG12 ' A' ' 66' ' ' VAL . 20.7 tp -52.83 -53.16 52.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.531 . . . . 2.13 110.706 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.6 -47.09 73.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.467 -0.333 . . . . 2.24 110.842 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.1 m -60.48 -48.84 80.02 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.161 -0.311 . . . . 1.02 110.161 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.05 -41.66 53.28 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.675 -0.774 . . . . 0.79 111.275 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 1.106 ' O ' ' OD1' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -57.97 -47.32 83.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.2 -0.667 . . . . 3.25 109.2 178.739 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HA ' ' OD1' ' A' ' 75' ' ' ASP . 1.7 tmtm? -57.4 -46.29 83.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.721 -0.672 . . . . 3.71 109.764 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.472 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 3.3 mp -48.67 -54.96 12.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 1.52 109.555 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 m -54.23 -42.32 69.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 1.76 109.988 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 1.106 ' OD1' ' O ' ' A' ' 71' ' ' LYS . 3.6 m-20 -63.3 -30.55 71.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.584 -0.734 . . . . 2.34 112.242 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -103.37 -5.01 23.38 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.587 0.958 . . . . 2.89 113.587 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 73' ' ' LEU . 8.4 p30 -150.18 14.32 0.79 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 120.347 -0.541 . . . . 4.42 112.365 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.472 ' OG1' HD13 ' A' ' 79' ' ' ILE . 30.1 p 32.0 -99.41 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 4.87 112.124 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.603 ' H ' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.16 127.48 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.333 -0.394 . . . . 4.56 111.361 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.85 -36.77 2.07 Favored Glycine 0 C--N 1.331 0.291 0 N-CA-C 111.111 -0.796 . . . . 2.87 111.111 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.66 -33.32 6.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.311 -0.444 . . . . 4.4 111.299 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -43.55 -53.59 5.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.664 0.269 . . . . 3.0 111.36 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.51 -50.84 71.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.106 0.479 . . . . 2.94 109.984 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 5.8 mm -50.57 -45.89 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.859 -0.609 . . . . 2.47 110.823 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -53.8 -50.08 66.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.423 -0.353 . . . . 3.13 110.811 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.46 -47.3 76.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.385 -0.371 . . . . 3.09 110.459 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.48 -50.82 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 4.43 110.688 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.74 -35.83 69.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 1.9 110.354 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.5 ' O ' HG12 ' A' ' 92' ' ' VAL . . . -61.43 -37.92 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.05 -0.523 . . . . 0.97 110.455 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.675 HE21 ' CE1' ' A' ' 94' ' ' HIS . 45.4 tp60 -66.97 -40.93 87.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.27 0.557 . . . . 2.72 109.83 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.531 ' CE1' HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -59.99 -53.57 56.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 1.19 109.986 179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -53.88 -44.46 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.774 -0.37 . . . . 1.37 110.216 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' N ' ' CG1' ' A' ' 92' ' ' VAL . 0.6 OUTLIER -51.95 -58.54 6.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.77 0.319 . . . . 1.71 110.942 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.675 ' CE1' HE21 ' A' ' 90' ' ' GLN . 5.3 m-70 -57.09 -48.48 78.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.912 0.387 . . . . 2.46 111.102 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.603 ' CH2' HD23 ' A' ' 56' ' ' LEU . 12.7 t-105 -62.33 -35.25 78.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 2.64 110.608 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.28 -47.87 82.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 2.86 109.937 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.27 -48.11 81.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.038 0.447 . . . . 3.03 109.856 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 27' ' ' LYS . 1.3 mp -57.27 -46.92 82.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.897 -0.592 . . . . 2.38 110.245 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -55.59 -50.58 69.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 4.07 109.849 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -51.41 -54.85 22.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 3.33 110.108 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.49 -50.12 60.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.181 -0.463 . . . . 2.59 110.262 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.56 74.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.956 -0.566 . . . . 2.24 110.911 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 2.56 110.706 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.14 -46.25 85.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.18 0.514 . . . . 2.74 109.757 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -49.47 -55.68 12.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.36 -0.837 . . . . 4.42 110.27 179.171 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.33 -36.93 93.23 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.889 -0.672 . . . . 3.27 112.247 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.523 0.201 . . . . 4.07 111.321 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.351 -0.611 . . . . 4.11 109.351 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -68.88 -46.0 69.54 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.601 -0.727 . . . . 3.73 109.849 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.513 ' CD2' HD11 ' A' ' 73' ' ' LEU . 72.5 t80 -47.66 -50.33 25.0 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.342 -0.543 . . . . 1.14 109.666 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -50.71 -50.82 54.35 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.5 -0.556 . . . . 2.77 109.5 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.579 ' O ' ' OD2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -55.9 -56.39 21.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.943 -0.572 . . . . 4.35 109.832 178.565 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 1.275 ' HA ' ' OD2' ' A' ' 18' ' ' ASP . 1.1 m-20 -49.95 -43.66 50.1 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.278 -0.419 . . . . 2.1 110.395 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.579 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -57.98 -54.25 49.02 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.298 0.571 . . . . 2.23 110.192 179.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' HB2' HH21 ' A' ' 14' ' ' ARG . 11.4 m-20 -55.94 -41.47 74.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.187 -0.672 . . . . 2.46 109.187 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.275 ' OD2' ' HA ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -57.6 -46.74 83.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.988 -0.551 . . . . 2.49 110.883 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.585 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 11.7 pt-20 -64.16 -55.65 20.32 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.382 -0.599 . . . . 3.07 109.382 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.959 ' OE1' HD12 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -50.42 -39.22 46.75 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.299 -0.63 . . . . 2.5 109.299 178.237 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -65.54 -41.09 93.45 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.422 -0.808 . . . . 1.59 109.767 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.844 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 49.5 t90 -53.07 -47.07 68.78 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 109.797 -0.445 . . . . 2.24 109.797 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.959 HD12 ' OE1' ' A' ' 20' ' ' GLU . 48.0 mt -52.68 -59.9 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.396 0.617 . . . . 1.92 109.895 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -44.44 57.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.341 -0.845 . . . . 3.58 111.161 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -47.95 82.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 3.45 110.693 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.0 89.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 2.77 110.255 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -49.06 62.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.82 -0.437 . . . . 3.62 109.82 179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.62 -32.02 73.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.075 0.464 . . . . 3.19 109.964 179.107 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.39 -47.45 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.968 -0.56 . . . . 3.08 110.11 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.15 -36.97 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.988 0.423 . . . . 2.48 109.921 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 m -55.96 -37.69 69.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.575 -0.739 . . . . 3.01 110.28 179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -80.39 -53.61 6.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.896 -0.593 . . . . 3.19 110.504 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.8 90.42 4.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.01 -0.541 . . . . 4.37 110.381 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -124.83 36.61 4.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.02 -0.537 . . . . 4.85 110.507 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 179.06 -63.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 9.52 110.047 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 145.2 -143.09 11.4 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.864 -0.684 . . . . 4.85 112.578 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.52 164.19 12.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.748 0.309 . . . . 7.28 110.953 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.53 -26.68 41.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 5.96 109.89 179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mp -75.7 -49.0 19.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.464 -0.789 . . . . 5.47 110.564 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.779 HG23 HD22 ' A' ' 44' ' ' ASN . 15.2 t -138.62 64.24 1.5 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.195 -0.457 . . . . 4.22 110.831 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.59 -47.42 90.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.798 -0.715 . . . . 4.04 112.673 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 43' ' ' GLN . 6.1 m -53.9 -53.97 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.911 0.337 . . . . 4.39 111.911 -179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.448 ' H ' HG23 ' A' ' 42' ' ' VAL . 12.4 tp60 -64.23 -35.29 80.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.732 0.301 . . . . 4.24 110.451 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.779 HD22 HG23 ' A' ' 40' ' ' THR . 1.6 m-80 -61.1 -42.4 98.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.288 -0.415 . . . . 3.83 110.094 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 tp -58.18 -58.62 7.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.993 -0.548 . . . . 4.27 110.769 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -36.79 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.369 -0.378 . . . . 5.49 110.597 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -63.64 -42.6 98.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.128 -0.487 . . . . 4.3 110.123 179.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -62.02 -45.91 91.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.814 -0.63 . . . . 4.17 110.312 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -60.8 -50.46 73.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.93 -0.577 . . . . 3.6 110.438 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -44.22 81.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.333 -0.394 . . . . 3.17 110.926 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -47.86 83.78 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.05 0.452 . . . . 4.13 110.012 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.72 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -57.69 -48.44 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.736 -0.666 . . . . 2.9 109.5 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -49.47 -52.91 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.808 -0.633 . . . . 3.17 110.732 179.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.47 -47.13 79.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.079 0.466 . . . . 1.35 110.381 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.81 -52.57 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 2.6 110.73 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -52.7 -44.01 66.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 2.67 111.56 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.18 -47.31 75.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.123 -0.489 . . . . 1.37 111.445 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.66 -21.42 48.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.036 -0.529 . . . . 1.43 111.644 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.844 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -67.73 -31.18 70.92 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.011 0.375 . . . . 2.61 112.011 -179.173 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.584 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 1.9 mp0 -60.15 -63.19 4.56 Favored Pre-proline 0 C--N 1.328 -0.345 0 C-N-CA 120.155 -0.618 . . . . 3.01 109.65 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.584 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 33.0 Cg_exo -62.44 -43.78 21.06 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.145 1.897 . . . . 1.6 112.104 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -55.78 27.36 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.611 -0.722 . . . . 1.31 112.375 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.41 -44.88 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 121.029 -0.268 . . . . 1.08 111.324 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.81 -49.88 14.7 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.716 -0.476 . . . . 3.27 109.716 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -50.2 -48.73 39.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.594 -0.812 . . . . 1.14 111.401 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -56.43 -47.14 82.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.104 0.478 . . . . 1.46 109.952 179.128 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 5.2 mp -55.86 -52.89 62.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.758 -0.655 . . . . 2.13 110.454 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -53.34 -49.05 67.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.329 -0.396 . . . . 2.24 110.444 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.3 m -56.03 -54.17 48.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.341 -0.39 . . . . 1.02 110.487 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.48 -42.39 75.44 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 120.431 -0.89 . . . . 0.79 111.777 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -59.23 -37.59 77.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.846 0.355 . . . . 3.25 110.299 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -57.92 9.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.042 -0.526 . . . . 3.71 110.63 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -53.1 -38.58 62.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 1.52 110.486 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.7 m -59.6 -51.77 68.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.988 -0.551 . . . . 1.76 111.065 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.5 -44.41 62.52 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.794 0.33 . . . . 2.34 111.222 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.09 14.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 2.89 111.703 -179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 43.09 41.44 2.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.82 0.343 . . . . 4.42 111.429 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.4 m -73.53 139.89 45.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.384 . . . . 4.87 110.682 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' ILE . 15.5 tt -57.67 116.8 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.459 -0.337 . . . . 4.56 111.022 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.07 -23.61 8.59 Favored Glycine 0 C--N 1.33 0.248 0 C-N-CA 121.07 -0.586 . . . . 2.87 112.064 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -45.86 -40.68 10.26 Favored 'General case' 0 C--O 1.226 -0.163 0 N-CA-C 111.618 0.229 . . . . 4.4 111.618 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 1.4 pm0 -57.19 -57.59 11.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.62 0.248 . . . . 3.0 110.819 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 1.2 tp10 -53.67 -45.52 70.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 2.94 110.004 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.41 HD13 HD12 ' A' ' 73' ' ' LEU . 86.1 mt -56.06 -52.88 45.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.798 -0.637 . . . . 2.47 110.682 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -43.88 71.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.391 . . . . 3.13 110.972 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.64 -49.27 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.551 -0.295 . . . . 3.09 110.755 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -45.24 92.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 4.43 110.193 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 92' ' ' VAL . 7.4 tt -54.79 -45.76 74.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.847 -0.615 . . . . 1.9 110.523 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.05 77.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.37 -0.377 . . . . 0.97 110.537 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -35.44 72.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.014 -0.539 . . . . 2.72 109.668 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 23' ' ' ILE . 19.6 t80 -59.52 -52.19 66.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.767 -0.651 . . . . 1.19 110.158 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 88' ' ' LEU . 2.5 t -54.49 -52.05 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.818 -0.438 . . . . 1.37 109.818 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.466 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -49.79 -54.08 21.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.825 -0.625 . . . . 1.71 110.006 178.777 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.521 ' HB3' HG21 ' A' ' 23' ' ' ILE . 1.2 m-70 -52.61 -56.26 16.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.211 -0.449 . . . . 2.46 111.192 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.409 ' HD1' HD12 ' A' ' 98' ' ' LEU . 12.2 t90 -58.47 -34.36 70.78 Favored 'General case' 0 CA--C 1.523 -0.082 0 C-N-CA 120.623 -0.431 . . . . 2.64 111.598 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.624 ' HG3' ' N ' ' A' ' 97' ' ' GLU . 0.2 OUTLIER -57.38 -44.91 84.86 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.422 -0.511 . . . . 2.86 109.848 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.624 ' N ' ' HG3' ' A' ' 96' ' ' LYS . 5.2 mm-40 -59.23 -47.93 83.49 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.99 0.424 . . . . 3.03 110.138 178.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.731 HD11 HG23 ' A' ' 23' ' ' ILE . 20.3 mt -55.98 -46.62 78.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.028 -0.533 . . . . 2.38 110.179 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.467 ' HB2' ' HZ3' ' A' ' 99' ' ' LYS . 0.4 OUTLIER -55.72 -53.62 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.998 -0.546 . . . . 4.07 109.928 179.558 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -53.98 -50.55 66.3 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.265 -0.425 . . . . 3.33 109.956 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -52.14 -47.88 65.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.218 -0.446 . . . . 2.59 110.429 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.48 -49.38 61.93 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.271 -0.422 . . . . 2.24 110.699 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.8 -48.06 76.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 2.56 110.283 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.68 83.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.902 -0.59 . . . . 2.74 110.704 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -40.39 82.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.128 -0.487 . . . . 4.42 110.307 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.88 83.08 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.914 -0.66 . . . . 3.27 111.776 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 4.07 110.233 179.379 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 t60 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.478 0.18 . . . . 4.11 111.442 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -56.8 -41.91 78.59 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 121.237 -0.185 . . . . 3.73 110.854 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 19.9 t80 -56.25 -44.24 79.49 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 108.705 -0.85 . . . . 1.14 108.705 178.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -50.97 38.13 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.911 -0.774 . . . . 2.77 108.911 178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -56.2 -53.72 53.76 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.658 -0.701 . . . . 4.35 109.588 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 1.063 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 3.8 m-20 -48.97 -49.64 39.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.787 0.327 . . . . 2.1 110.291 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.992 ' HA ' ' OE2' ' A' ' 19' ' ' GLU . 1.9 mmm -53.79 -52.66 59.57 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.118 0.485 . . . . 2.23 109.952 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -54.05 -44.75 71.34 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 115.722 -0.672 . . . . 2.46 109.688 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -43.09 62.66 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.226 -0.443 . . . . 2.49 110.738 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 1.27 ' OE1' HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -66.99 -59.04 3.82 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.568 -0.53 . . . . 3.07 109.568 178.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HA ' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -46.55 -37.88 8.62 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.992 -0.744 . . . . 2.5 108.992 178.364 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -67.63 -45.68 74.65 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.374 -0.83 . . . . 1.59 109.509 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.641 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 63.7 t90 -49.82 -43.74 48.92 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.298 -0.41 . . . . 2.24 110.041 178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mm -50.39 -59.71 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.102 0.477 . . . . 1.92 109.85 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.16 -43.65 70.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 3.58 110.601 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -45.38 86.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.233 -0.439 . . . . 3.45 111.042 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -63.11 -50.6 69.85 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.632 -0.507 . . . . 2.77 109.632 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -50.29 -43.3 53.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.266 0.555 . . . . 3.62 109.666 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.46 -38.96 92.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.676 -0.693 . . . . 3.19 110.3 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -43.86 95.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 3.08 110.028 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG22 ' HE2' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -56.5 -39.42 61.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.742 -0.663 . . . . 2.48 110.526 179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -63.03 -35.75 81.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 3.01 110.466 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.528 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 2.6 m -73.03 -43.54 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.988 -0.551 . . . . 3.19 110.595 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.916 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 3.8 mm-40 136.52 -6.71 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 O-C-N 124.571 1.169 . . . . 4.37 110.571 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 1.177 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 61.27 116.62 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.127 -0.488 . . . . 4.85 112.026 179.253 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 58.13 63.95 1.63 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.859 -0.61 . . . . 9.52 111.919 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.0 176.78 0.59 Allowed Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.166 -0.54 . . . . 4.85 113.752 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.542 HH11 ' HB3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -161.1 120.18 2.55 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.748 0.308 . . . . 7.28 110.611 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.766 ' OD1' HG22 ' A' ' 40' ' ' THR . 1.0 OUTLIER -79.23 -31.8 43.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.458 -0.571 . . . . 5.96 109.458 178.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.59 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 34.2 tp 122.39 58.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.391 1.057 . . . . 5.47 110.82 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.766 HG22 ' OD1' ' A' ' 38' ' ' ASP . 5.1 t -150.32 74.22 1.18 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.72 -0.673 . . . . 4.22 110.296 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.47 -55.57 2.56 Favored Glycine 0 CA--C 1.52 0.385 0 CA-C-N 116.059 -0.519 . . . . 4.04 114.128 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -61.05 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 N-CA-C 112.78 0.659 . . . . 4.39 112.78 -178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -67.28 -23.42 65.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.104 0.478 . . . . 4.24 110.358 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -33.89 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.765 -0.652 . . . . 3.83 109.801 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.7 -56.76 16.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 4.27 109.528 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -40.27 71.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.007 -0.542 . . . . 5.49 109.724 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -44.97 96.02 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.663 -0.699 . . . . 4.3 110.187 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 1.177 ' HE3' ' OD1' ' A' ' 34' ' ' ASP . 10.6 mttt -58.36 -50.58 73.17 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.591 -0.522 . . . . 4.17 109.591 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -51.41 -53.97 31.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 3.6 110.502 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 1.241 ' CA ' ' OE1' ' A' ' 53' ' ' GLU . 2.1 mptp? -52.71 -48.04 66.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.959 0.409 . . . . 3.17 110.345 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 51' ' ' ARG . 0.2 OUTLIER -58.6 -38.11 77.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 4.13 110.201 179.355 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.64 -53.4 58.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.621 -0.718 . . . . 2.9 110.154 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 1.241 ' OE1' ' CA ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -51.11 -48.9 61.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 3.17 110.407 179.561 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.25 63.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.431 . . . . 1.35 110.65 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.45 -49.2 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.913 -0.585 . . . . 2.6 110.142 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -51.06 -39.74 56.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.621 -0.718 . . . . 2.67 111.674 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.88 -48.73 75.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 1.37 111.49 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.66 -24.76 53.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 1.43 111.481 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.641 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 0.8 OUTLIER -73.86 -26.88 60.8 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.296 -0.411 . . . . 2.61 111.59 -179.179 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.583 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.6 OUTLIER -58.16 -62.39 5.64 Favored Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 119.022 -1.071 . . . . 3.01 108.603 178.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.583 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 47.2 Cg_exo -57.94 -48.58 15.81 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.335 2.023 . . . . 1.6 112.342 178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.83 -56.37 21.98 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.082 -0.508 . . . . 1.31 112.298 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CG1' ' O ' ' A' ' 59' ' ' HIS . 1.4 mm -55.14 -50.07 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 1.08 110.403 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.71 -49.77 64.71 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.411 -0.359 . . . . 3.27 110.318 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.96 -46.37 14.53 Favored Glycine 0 C--N 1.333 0.404 0 C-N-CA 120.851 -0.69 . . . . 1.14 111.984 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.27 HG11 ' OE1' ' A' ' 19' ' ' GLU . 5.8 t -57.24 -57.77 8.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.006 0.431 . . . . 1.46 110.126 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 67' ' ' LEU . 9.4 tt -48.64 -51.47 28.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.95 -0.568 . . . . 2.13 110.147 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.2 -53.18 46.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 2.24 110.647 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -56.65 -47.3 80.06 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.852 0.358 . . . . 1.02 110.436 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.48 -42.73 84.56 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.482 -0.866 . . . . 0.79 111.666 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -58.52 -39.9 81.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.832 0.348 . . . . 3.25 110.513 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' O ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -49.32 -54.69 15.82 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.12 -0.491 . . . . 3.71 110.688 179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.21 -48.29 71.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 1.52 110.55 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.27 -45.04 65.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 1.76 110.766 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -40.12 94.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.043 -0.526 . . . . 2.34 110.84 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.583 ' OD1' ' O ' ' A' ' 72' ' ' LYS . 5.4 m-20 -61.91 -46.98 86.97 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.605 -0.517 . . . . 2.89 109.605 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -167.56 136.95 2.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.387 -0.824 . . . . 4.42 109.618 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.898 HG22 ' OE2' ' A' ' 82' ' ' GLU . 4.0 m -89.21 -39.64 13.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 4.87 111.107 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mm -56.82 99.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.048 -0.524 . . . . 4.56 110.946 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.99 -36.59 3.39 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 115.959 -0.564 . . . . 2.87 112.279 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -25.94 58.95 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.396 0.147 . . . . 4.4 111.396 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.898 ' OE2' HG22 ' A' ' 78' ' ' THR . 65.8 mm-40 -40.51 -47.24 2.63 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.706 -0.224 . . . . 3.0 111.284 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.1 -59.98 3.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.998 0.428 . . . . 2.94 110.665 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.7 mt -55.43 -44.72 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 2.47 110.254 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -42.56 70.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 3.13 110.587 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -49.71 76.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.863 0.363 . . . . 3.09 110.206 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -61.52 -47.34 86.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.104 -0.498 . . . . 4.43 110.127 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 92' ' ' VAL . 64.8 tp -55.63 -43.1 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 1.9 110.185 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.01 78.29 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.176 -0.466 . . . . 0.97 110.058 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -64.65 -43.3 94.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.755 -0.657 . . . . 2.72 109.9 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -56.16 -49.1 74.92 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.07 -0.514 . . . . 1.19 109.816 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 88' ' ' LEU . 2.4 t -51.84 -52.94 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.456 -0.338 . . . . 1.37 110.691 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.792 ' OD1' ' N ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -51.11 -52.31 44.95 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.752 0.31 . . . . 1.71 110.411 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.792 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 11.0 m-70 -55.39 -52.92 61.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.072 0.463 . . . . 2.46 109.962 179.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 59' ' ' HIS . 56.8 t-105 -51.27 -44.9 61.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.696 -0.684 . . . . 2.64 110.042 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -54.21 -55.43 28.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.419 -0.809 . . . . 2.86 110.189 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -43.84 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 3.03 110.148 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -52.99 63.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 2.38 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -57.87 -43.65 86.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.08 0.467 . . . . 4.07 109.99 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -53.41 58.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 3.33 110.261 178.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.51 -49.16 65.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.235 -0.439 . . . . 2.59 110.095 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.56 58.76 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.926 -0.579 . . . . 2.24 110.733 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.16 -48.55 70.76 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.165 -0.471 . . . . 2.56 110.747 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.09 -38.02 81.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.993 -0.549 . . . . 2.74 110.576 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -41.63 98.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.803 -0.635 . . . . 4.42 110.553 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.61 -41.0 97.13 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.782 -0.723 . . . . 3.27 111.787 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.957 0.408 . . . . 4.07 110.272 179.613 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.48 ' CD2' HE22 ' A' ' 11' ' ' GLN . 1.5 t60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.879 0.371 . . . . 4.11 110.437 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.48 HE22 ' CD2' ' A' ' 10' ' ' HIS . 1.3 mp0 -66.04 -29.97 70.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 3.73 110.22 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.514 ' HE2' HD12 ' A' ' 84' ' ' ILE . 80.4 t80 -58.03 -50.49 73.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.397 -0.594 . . . . 1.14 109.397 179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -50.43 56.56 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.77 -0.455 . . . . 2.77 109.77 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -54.72 -53.98 47.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.772 -0.649 . . . . 4.35 110.037 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -50.98 -50.04 59.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.866 0.365 . . . . 2.1 110.223 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -54.24 36.3 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.304 -0.407 . . . . 2.23 110.61 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -54.74 -48.11 72.99 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.218 -0.447 . . . . 2.46 110.243 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -46.32 61.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 2.49 110.584 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.666 ' HB3' ' CZ ' ' A' ' 91' ' ' PHE . 5.2 mm-40 -65.25 -58.46 5.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 3.07 109.786 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -40.32 6.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.029 -0.532 . . . . 2.5 109.729 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 t -67.08 -47.03 72.47 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.345 -0.613 . . . . 1.59 109.345 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 47.4 t90 -49.4 -45.45 46.13 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 116.064 -0.516 . . . . 2.24 109.805 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.4 mm -45.96 -59.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.035 0.445 . . . . 1.92 110.343 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -55.8 -46.49 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 3.58 110.675 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.97 -35.88 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 3.45 110.962 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.79 -55.03 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 2.77 110.557 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -53.16 -37.26 61.71 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.883 0.373 . . . . 3.62 110.432 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 3.8 tt -70.9 -35.73 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.275 -0.42 . . . . 3.19 110.223 179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.2 tp -61.07 -45.36 95.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.964 -0.562 . . . . 3.08 110.644 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.5 t -60.12 -47.78 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 2.48 110.446 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m -53.49 -33.25 53.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 3.01 111.092 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 m -80.8 -52.6 7.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 3.19 111.401 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.03 56.26 0.8 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.988 -0.551 . . . . 4.37 111.376 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -51.57 28.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 4.85 110.787 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -174.68 -29.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.079 -0.51 . . . . 9.52 110.635 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.14 -123.22 8.38 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.105 -0.569 . . . . 4.85 113.283 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HE ' ' CG ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -90.87 118.94 30.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.432 0.158 . . . . 7.28 110.858 -179.559 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' CG ' ' HE ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -36.48 -51.7 0.83 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.331 -0.395 . . . . 5.96 111.598 179.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD13 ' C ' ' A' ' 39' ' ' LEU . 3.5 tm? -40.48 -50.2 2.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.171 -0.468 . . . . 5.47 111.612 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.7 m -87.35 -26.37 23.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.484 -0.326 . . . . 4.22 110.589 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -38.54 -43.23 1.53 Allowed Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.889 -0.596 . . . . 4.04 112.942 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.604 HG13 ' H ' ' A' ' 43' ' ' GLN . 2.8 p -50.61 -59.12 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.832 0.316 . . . . 4.39 111.224 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.604 ' H ' HG13 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -67.18 -28.96 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.183 0.516 . . . . 4.24 110.033 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -64.9 -36.67 85.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.523 -0.762 . . . . 3.83 110.224 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.9 tt -62.57 -57.32 11.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.12 -0.491 . . . . 4.27 110.006 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.2 ttm105 -48.55 -42.45 33.48 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.123 -0.49 . . . . 5.49 110.569 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -43.29 85.07 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.076 -0.511 . . . . 4.3 110.45 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -60.36 -41.81 94.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 4.17 110.22 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -55.63 32.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.493 . . . . 3.6 110.375 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -53.29 -42.45 66.62 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.15 -0.477 . . . . 3.17 110.509 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -38.44 91.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 4.13 109.972 179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.79 -53.66 55.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.04 -0.527 . . . . 2.9 110.731 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -57.45 -49.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.389 -0.368 . . . . 3.17 110.771 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.14 -40.84 82.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.151 0.5 . . . . 1.35 110.143 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.695 ' OE2' ' CE1' ' A' ' 59' ' ' HIS . 23.2 tp10 -56.26 -58.29 8.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.467 -0.788 . . . . 2.6 110.512 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.7 tt -56.23 -39.28 72.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 2.67 111.916 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.81 -52.75 62.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.114 -0.493 . . . . 1.37 112.251 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.72 -23.88 42.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 1.43 112.065 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.713 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 6.7 m80 -72.88 -25.51 61.11 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 2.61 112.503 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.57 ' HB3' ' HD3' ' A' ' 61' ' ' PRO . 0.9 OUTLIER -65.52 -61.4 5.92 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.253 -0.647 . . . . 3.01 109.253 179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 60' ' ' GLU . 31.8 Cg_exo -58.54 -40.87 70.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.116 1.877 . . . . 1.6 112.158 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.39 -61.23 2.73 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.519 0.563 . . . . 1.31 112.519 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.602 HG12 ' CZ ' ' A' ' 91' ' ' PHE . 1.6 mp -68.97 -40.18 80.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.675 -0.239 . . . . 1.08 111.315 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -56.65 -52.24 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.641 0.258 . . . . 3.27 110.664 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -45.2 -45.36 10.32 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.766 -0.731 . . . . 1.14 111.807 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.95 -58.59 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-O 120.899 0.381 . . . . 1.46 110.173 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 tt -46.72 -48.67 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 2.13 110.659 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -55.24 30.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 2.24 110.959 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.408 ' HB ' ' CE1' ' A' ' 12' ' ' PHE . 5.5 m -58.03 -44.01 87.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.936 0.398 . . . . 1.02 110.119 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.724 -0.75 . . . . 0.79 111.448 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -60.44 -37.02 79.62 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.851 -0.426 . . . . 3.25 109.851 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -50.81 70.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.846 -0.616 . . . . 3.71 110.085 179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -45.01 -49.66 11.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.154 0.502 . . . . 1.52 110.474 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -50.52 -48.99 56.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.771 -0.649 . . . . 1.76 111.785 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -57.16 -43.77 82.87 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.157 0.428 . . . . 2.34 112.157 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -83.65 -16.04 46.61 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.703 0.261 . . . . 2.89 111.703 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.414 ' ND2' ' N ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 66.54 109.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 4.42 110.498 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.459 ' H ' ' HD3' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -146.93 143.28 28.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 4.87 110.651 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.6 pt -65.99 113.78 2.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.364 -0.38 . . . . 4.56 110.688 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.25 -28.12 4.62 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 111.551 -0.62 . . . . 2.87 111.551 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HD3' ' H ' ' A' ' 78' ' ' THR . 11.9 pttm -47.33 -45.91 24.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 4.4 111.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -54.09 -58.11 8.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.01 -0.541 . . . . 3.0 111.182 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.39 -39.99 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.039 0.447 . . . . 2.94 110.092 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.514 HD12 ' HE2' ' A' ' 12' ' ' PHE . 12.3 mm -55.26 -50.92 60.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.05 -0.523 . . . . 2.47 110.061 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -48.35 67.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 3.13 110.641 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.18 -51.08 70.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.247 -0.433 . . . . 3.09 110.377 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -58.26 -47.36 83.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 4.43 110.661 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.438 ' O ' HG23 ' A' ' 92' ' ' VAL . 35.6 tp -57.19 -41.68 79.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.565 . . . . 1.9 110.704 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.5 -33.48 75.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.311 -0.404 . . . . 0.97 110.262 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.03 -39.74 75.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.778 -0.646 . . . . 2.72 109.377 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.666 ' CZ ' ' HB3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -54.86 -54.34 43.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.34 -0.845 . . . . 1.19 110.116 179.48 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 88' ' ' LEU . 4.6 t -55.4 -53.26 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.263 -0.426 . . . . 1.37 111.371 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -57.87 -44.49 86.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.703 0.287 . . . . 1.71 111.233 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.44 -48.91 79.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.555 -0.293 . . . . 2.46 110.878 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.476 ' CD1' ' HH2' ' A' ' 22' ' ' TRP . 20.4 t90 -67.94 -34.03 75.81 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.44 -0.346 . . . . 2.64 110.153 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.97 -50.42 74.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 2.86 110.262 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HA ' HE21 ' A' ' 100' ' ' GLN . 16.9 tp10 -60.71 -49.47 77.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 3.03 110.361 179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.21 -42.07 85.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.797 -0.638 . . . . 2.38 111.049 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -61.23 -48.67 80.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.131 -0.322 . . . . 4.07 110.131 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.408 HE21 ' HA ' ' A' ' 97' ' ' GLU . 32.5 mt-30 -56.17 -52.01 65.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.339 -0.391 . . . . 3.33 110.386 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.23 -46.84 82.61 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.256 -0.429 . . . . 2.59 110.575 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.39 78.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 2.24 110.954 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -50.46 72.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 2.56 110.873 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.89 91.09 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.275 -0.421 . . . . 2.74 110.746 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -42.51 98.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.946 -0.57 . . . . 4.42 110.656 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.36 -35.24 91.37 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.082 -0.58 . . . . 3.27 112.241 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.689 0.28 . . . . 4.07 110.747 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.5 m80 . . . . . 0 CA--C 1.521 -0.165 0 CA-C-O 121.098 0.475 . . . . 4.11 109.865 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -60.19 -42.81 95.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.717 -0.674 . . . . 3.73 110.068 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' CD2' HD12 ' A' ' 73' ' ' LEU . 44.2 t80 -48.9 -51.17 31.47 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.425 -0.352 . . . . 1.14 110.978 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -48.59 -50.41 32.59 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.531 -0.468 . . . . 2.77 109.908 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' HE ' ' CG ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -60.71 -48.91 79.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.889 -0.596 . . . . 4.35 110.087 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.51 -42.84 64.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.861 0.363 . . . . 2.1 110.398 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.54 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 4.7 tpt -59.58 -58.42 8.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.035 0.445 . . . . 2.23 110.125 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -53.13 -44.59 67.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.741 -0.466 . . . . 2.46 109.741 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' CG ' ' HE ' ' A' ' 14' ' ' ARG . 3.7 m-20 -54.52 -50.06 68.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 2.49 110.683 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.606 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 13.2 pt-20 -62.33 -54.43 40.67 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.832 -0.433 . . . . 3.07 109.832 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.606 ' N ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -48.3 -40.52 25.28 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.486 -0.561 . . . . 2.5 109.486 178.366 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.77 -45.24 90.65 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.962 -0.563 . . . . 1.59 109.861 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.643 ' CZ2' ' NE2' ' A' ' 59' ' ' HIS . 22.1 t90 -48.77 -45.04 39.35 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 110.325 -0.25 . . . . 2.24 110.325 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.615 HD13 ' HB3' ' A' ' 94' ' ' HIS . 71.3 mt -52.33 -60.63 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.03 0.443 . . . . 1.92 110.315 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -53.9 -37.92 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.812 -0.631 . . . . 3.58 110.826 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.74 -51.1 70.79 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.123 -0.49 . . . . 3.45 110.547 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' HG2' HD21 ' A' ' 98' ' ' LEU . 28.8 tptt -59.52 -48.72 80.58 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.573 -0.528 . . . . 2.77 109.573 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG3' HD12 ' A' ' 98' ' ' LEU . 32.0 mttt -49.48 -47.61 48.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.19 -0.459 . . . . 3.62 110.186 178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -37.52 84.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.008 -0.542 . . . . 3.19 110.154 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.9 -44.89 82.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.972 -0.558 . . . . 3.08 110.553 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.576 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 19.1 t -54.05 -48.94 63.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.234 -0.439 . . . . 2.48 110.687 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' OD1' ' A' ' 34' ' ' ASP . 2.3 p -51.12 -34.47 30.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.121 -0.491 . . . . 3.01 110.628 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -40.61 25.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 3.19 111.001 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 1.144 ' OE2' ' NH1' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -56.57 -40.74 75.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 4.37 110.465 179.732 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.576 ' OD1' ' O ' ' A' ' 30' ' ' VAL . 8.3 p-10 -74.22 73.52 1.78 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.898 -0.592 . . . . 4.85 110.3 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' HD1' ' C ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -73.17 -147.88 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.089 -0.505 . . . . 9.52 111.664 -178.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.61 58.79 0.66 Allowed Glycine 0 C--N 1.334 0.451 0 C-N-CA 121.127 -0.559 . . . . 4.85 112.152 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? 62.28 124.0 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.228 0.537 . . . . 7.28 111.56 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 39' ' ' LEU . 43.9 p-10 -103.25 -16.97 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.689 -0.687 . . . . 5.96 110.025 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 38' ' ' ASP . 1.0 OUTLIER 103.96 21.14 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.05 0.844 . . . . 5.47 111.102 179.566 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 40' ' ' THR . 4.4 t -169.32 43.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 4.22 109.877 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.46 -55.27 1.65 Allowed Glycine 0 C--O 1.225 -0.428 0 CA-C-N 115.662 -0.699 . . . . 4.04 113.739 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.5 t -44.29 -60.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.108 0.454 . . . . 4.39 112.169 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -62.39 -37.63 86.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.036 0.446 . . . . 4.24 110.811 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -28.61 68.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 3.83 110.365 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -56.64 10.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.69 -0.485 . . . . 4.27 109.69 179.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.6 mtm-85 -53.03 -38.74 62.64 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.14 -0.482 . . . . 5.49 110.033 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -55.51 32.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 4.3 109.927 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -54.5 -45.72 73.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.087 -0.506 . . . . 4.17 109.929 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.586 ' CE1' ' OE2' ' A' ' 53' ' ' GLU . 75.6 t60 -52.63 -49.89 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 3.6 110.515 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -44.97 51.4 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.349 -0.387 . . . . 3.17 110.397 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 1.144 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 17.7 ttp180 -67.19 -36.67 82.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 4.13 110.178 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.86 -45.92 90.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.851 -0.613 . . . . 2.9 110.187 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.823 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -50.49 -54.69 20.29 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.898 -0.408 . . . . 3.17 109.898 179.01 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.1 -50.65 63.99 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.991 -0.55 . . . . 1.35 109.974 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 6.0 mt-10 -49.71 -54.58 17.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 2.6 110.367 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.52 ' HA ' ' ND1' ' A' ' 59' ' ' HIS . 51.9 mt -55.24 -34.57 64.1 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.962 -0.563 . . . . 2.67 111.737 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' HD2' ' A' ' 61' ' ' PRO . . . -68.79 -31.59 70.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 1.37 111.78 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.65 -19.66 60.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.326 0.491 . . . . 1.43 112.326 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.643 ' NE2' ' CZ2' ' A' ' 22' ' ' TRP . 43.6 m80 -63.79 -41.99 97.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.371 . . . . 2.61 110.886 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 64' ' ' GLN . 8.4 tp10 -58.64 -61.64 7.27 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.441 . . . . 3.01 110.705 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.469 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 19.7 Cg_endo -60.06 -46.61 18.3 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.608 2.206 . . . . 1.6 113.551 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.26 69.63 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.301 0.852 . . . . 1.31 113.301 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 59' ' ' HIS . 86.7 mt -80.24 -41.8 21.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 121.03 -0.268 . . . . 1.08 111.692 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.469 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -52.78 -50.67 63.09 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 121.25 -0.18 . . . . 3.27 110.756 179.32 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -44.45 -48.92 8.59 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 120.506 -0.854 . . . . 1.14 111.868 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.418 HG21 ' OE1' ' A' ' 19' ' ' GLU . 17.2 t -59.69 -55.13 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 1.46 110.754 179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.55 -49.18 62.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 2.13 110.929 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.13 -51.15 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 2.24 110.907 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.5 m -60.69 -47.02 88.12 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.954 -0.298 . . . . 1.02 110.415 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.31 -40.86 92.57 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.624 -0.798 . . . . 0.79 112.299 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -58.55 -43.17 89.21 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.762 -0.459 . . . . 3.25 109.762 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -47.66 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.725 -0.671 . . . . 3.71 109.577 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.438 HD12 ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -49.31 -45.75 45.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.668 -0.696 . . . . 1.52 110.292 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.2 m -54.19 -57.2 12.05 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.062 -0.517 . . . . 1.76 111.067 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.94 -32.7 66.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 2.34 110.978 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.67 -25.75 38.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 2.89 111.238 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.94 84.02 2.19 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.364 -0.38 . . . . 4.42 110.869 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -54.16 38.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 4.87 110.506 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 tp -95.61 104.25 15.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 4.56 110.578 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 137.34 -31.5 2.51 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.95 -0.643 . . . . 2.87 112.17 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -47.34 -39.27 14.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.509 0.195 . . . . 4.4 111.423 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -51.81 -51.63 55.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 3.0 111.113 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -52.42 -53.25 47.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.906 0.384 . . . . 2.94 110.351 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 38.2 mt -54.66 -47.95 72.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 2.47 110.85 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -54.17 -44.18 71.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 3.13 110.292 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 85' ' ' GLN . 2.0 tp-100 -60.08 -48.97 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.015 -0.365 . . . . 3.09 110.015 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -57.59 -50.03 74.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 4.43 110.486 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.7 tt -58.14 -40.72 82.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 1.9 110.158 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.63 -34.37 64.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.951 -0.568 . . . . 0.97 110.71 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -67.05 -45.2 78.12 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 109.778 -0.452 . . . . 2.72 109.778 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.576 ' CD2' HD11 ' A' ' 23' ' ' ILE . 34.5 t80 -52.94 -49.42 66.07 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.151 -0.477 . . . . 1.19 109.795 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 88' ' ' LEU . 1.3 t -56.08 -50.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.997 -0.547 . . . . 1.37 110.32 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 8.1 t70 -52.23 -47.86 65.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.059 0.457 . . . . 1.71 109.896 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.615 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.3 t-160 -52.19 -58.56 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 2.46 109.961 179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -55.08 -41.93 72.18 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.353 -0.385 . . . . 2.64 110.39 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -50.99 -48.11 61.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.279 -0.419 . . . . 2.86 109.972 179.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -39.87 91.38 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.643 -0.503 . . . . 3.03 109.643 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.497 HD21 ' HG2' ' A' ' 26' ' ' LYS . 6.1 tt -56.5 -42.53 78.49 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.588 . . . . 2.38 110.19 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -55.39 -55.54 30.46 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.257 -0.645 . . . . 4.07 109.257 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -52.56 29.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.872 -0.604 . . . . 3.33 109.854 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.88 -50.08 47.21 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 116.124 -0.489 . . . . 2.59 110.292 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.94 -43.91 73.82 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.048 -0.524 . . . . 2.24 110.46 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.42 80.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.971 -0.559 . . . . 2.56 110.029 179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.78 -48.36 69.85 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.885 -0.598 . . . . 2.74 110.157 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -45.66 71.22 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.245 -0.65 . . . . 4.42 109.245 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -54.61 -37.57 61.38 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.984 -0.626 . . . . 3.27 111.95 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.038 0.447 . . . . 4.07 109.893 179.324 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.925 0.393 . . . . 4.11 110.683 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -67.64 -40.62 84.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 3.73 109.558 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.501 ' CE2' HD22 ' A' ' 73' ' ' LEU . 35.8 t80 -47.48 -46.9 27.52 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.026 -0.534 . . . . 1.14 109.984 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CE2' HG13 ' A' ' 84' ' ' ILE . 14.9 m-85 -50.94 -51.82 48.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.611 -0.436 . . . . 2.77 110.161 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -61.8 -51.2 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 4.35 111.258 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 16' ' ' MET . 6.2 p30 -59.81 -35.12 74.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.202 -0.599 . . . . 2.1 111.4 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.443 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 1.5 ttp -65.29 -53.24 47.02 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.866 0.365 . . . . 2.23 110.317 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -54.3 -48.92 70.75 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.0 -0.546 . . . . 2.46 110.339 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.09 -49.52 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 2.49 110.438 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 1.099 ' OE2' HD13 ' A' ' 63' ' ' ILE . 2.9 tm-20 -61.76 -59.22 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.965 0.412 . . . . 3.07 110.216 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 1.496 ' OE1' ' CD2' ' A' ' 91' ' ' PHE . 1.2 tp10 -50.37 -35.15 26.75 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.392 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.12 -43.51 91.75 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.634 -0.506 . . . . 1.59 109.634 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.406 ' CZ2' ' HD2' ' A' ' 26' ' ' LYS . 59.2 t90 -62.37 -43.82 97.92 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.036 -0.529 . . . . 2.24 110.16 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.524 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -59.57 -50.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.146 -0.479 . . . . 1.92 110.404 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 23' ' ' ILE . 36.9 mtmm -57.95 -47.95 81.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.78 0.324 . . . . 3.58 111.142 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.08 -43.78 95.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.352 -0.385 . . . . 3.45 110.959 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -67.99 -46.25 71.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.013 -0.54 . . . . 2.77 110.733 -179.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -54.99 -40.12 69.74 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.63 -0.507 . . . . 3.62 109.63 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.41 -43.9 92.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 CA-C-N 115.916 -0.584 . . . . 3.19 110.026 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -44.62 97.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.559 . . . . 3.08 110.276 179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.32 -43.95 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.975 -0.557 . . . . 2.48 110.629 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -54.21 -36.85 63.92 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.379 -0.373 . . . . 3.01 110.485 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -73.61 -47.19 42.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.979 -0.555 . . . . 3.19 110.155 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.701 ' OE1' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER 59.94 44.5 13.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.578 -0.737 . . . . 4.37 111.16 179.54 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -47.87 131.38 15.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.945 -0.571 . . . . 4.85 110.862 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -103.99 -58.55 1.86 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.23 -0.441 . . . . 9.52 111.361 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.56 128.39 0.13 Allowed Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.865 -0.683 . . . . 4.85 111.723 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -74.89 125.77 29.55 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.238 0.542 . . . . 7.28 111.838 -179.341 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -146.95 18.23 1.25 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.222 -1.029 . . . . 5.96 108.222 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER 59.91 29.57 19.13 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 114.516 -1.22 . . . . 5.47 111.336 -179.654 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 40' ' ' THR . 11.4 t -174.98 57.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.701 -0.681 . . . . 4.22 109.993 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -37.64 -42.6 1.03 Allowed Glycine 0 C--N 1.332 0.345 0 CA-C-N 115.933 -0.576 . . . . 4.04 113.472 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -57.33 -60.15 2.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.943 0.372 . . . . 4.39 111.135 179.607 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -33.83 69.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.931 0.396 . . . . 4.24 110.408 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -61.57 -47.93 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.575 . . . . 3.83 110.449 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD21 ' OE1' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -61.61 -47.41 85.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.067 -0.515 . . . . 4.27 110.054 179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -52.69 -43.48 65.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 5.49 110.331 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.8 mttp -53.24 -51.69 61.38 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.995 0.426 . . . . 4.3 110.149 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -60.03 -49.27 78.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.773 -0.649 . . . . 4.17 110.398 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -56.02 -38.15 70.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.902 -0.59 . . . . 3.6 110.697 179.631 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -51.59 -46.17 63.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.318 -0.401 . . . . 3.17 110.72 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -62.74 -42.9 99.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 4.13 109.669 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.08 -52.12 65.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.602 -0.726 . . . . 2.9 110.293 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.65 -51.07 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.032 -0.531 . . . . 3.17 110.602 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.82 -48.11 67.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.996 0.427 . . . . 1.35 110.34 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -52.18 65.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 2.6 110.045 178.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.426 ' HG ' ' CH2' ' A' ' 95' ' ' TRP . 2.4 tp -49.2 -37.96 24.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.547 -0.751 . . . . 2.67 111.89 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 1.37 111.464 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.0 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.43 111.912 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.558 ' O ' HG12 ' A' ' 63' ' ' ILE . 6.6 m-70 -63.67 -45.17 91.35 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.74 -0.384 . . . . 2.61 111.124 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.536 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.0 OUTLIER -38.68 -64.35 0.49 Allowed Pre-proline 0 N--CA 1.466 0.356 0 C-N-CA 121.009 -0.277 . . . . 3.01 110.595 -178.45 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.536 ' HD3' ' CB ' ' A' ' 60' ' ' GLU . 73.0 Cg_exo -44.96 -44.94 14.51 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.458 2.106 . . . . 1.6 112.566 179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.6 -19.57 45.2 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.552 0.575 . . . . 1.31 112.552 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.099 HD13 ' OE2' ' A' ' 19' ' ' GLU . 1.4 mm -76.05 -49.86 24.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.591 0.234 . . . . 1.08 110.554 -179.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -58.74 -52.36 66.01 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.528 -0.545 . . . . 3.27 109.528 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -49.44 -50.03 30.93 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.598 -0.81 . . . . 1.14 111.721 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 t -54.71 -54.94 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.46 110.229 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 tt -49.17 -53.36 21.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 2.13 110.64 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.838 ' OD1' ' N ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -52.6 -50.45 63.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.362 -0.381 . . . . 2.24 110.811 179.837 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.838 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 3.9 m -58.89 -47.66 84.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.806 0.336 . . . . 1.02 110.683 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.92 -40.0 64.05 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 120.718 -0.753 . . . . 0.79 111.964 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -40.11 69.76 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.977 0.418 . . . . 3.25 109.932 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -65.75 -48.93 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 3.71 109.778 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.501 HD22 ' CE2' ' A' ' 12' ' ' PHE . 7.3 mp -48.05 -42.65 28.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 1.52 110.305 179.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 m -50.61 -56.04 13.59 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.081 -0.509 . . . . 1.76 110.471 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.057 -0.519 . . . . 2.34 110.832 179.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -69.79 -30.54 68.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.983 -0.553 . . . . 2.89 110.933 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 10.5 t-20 56.81 -125.15 1.87 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.13 -0.486 . . . . 4.42 111.367 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.416 ' CB ' ' HZ1' ' A' ' 81' ' ' LYS . 3.9 m 66.76 61.6 0.53 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.013 0.435 . . . . 4.87 111.478 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 80' ' ' GLY . 4.0 mp 38.53 -108.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 CA-C-N 115.66 -0.7 . . . . 4.56 112.419 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.514 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -14.95 -57.8 0.01 OUTLIER Glycine 0 CA--C 1.527 0.834 0 N-CA-C 115.959 1.144 . . . . 2.87 115.959 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 13.0 mttp -47.22 -33.93 5.9 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.027 0.751 . . . . 4.4 113.027 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.9 -54.16 42.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 3.0 110.528 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -52.08 -47.69 65.06 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.705 -0.479 . . . . 2.94 109.705 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.437 HG13 ' CE2' ' A' ' 13' ' ' PHE . 3.4 mm -55.86 -49.32 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 2.47 110.015 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.65 -51.54 48.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 3.13 110.55 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.378 -0.374 . . . . 3.09 110.464 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -59.18 -47.5 85.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 4.43 110.529 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.2 -42.72 77.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 1.9 110.348 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.12 76.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.339 -0.391 . . . . 0.97 110.565 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -71.62 -38.36 70.79 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.448 -0.575 . . . . 2.72 109.448 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 1.496 ' CD2' ' OE1' ' A' ' 20' ' ' GLU . 14.4 t80 -56.11 -49.51 73.66 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.332 -0.618 . . . . 1.19 109.332 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.2 t -51.93 -52.61 21.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.221 -0.445 . . . . 1.37 110.265 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 96' ' ' LYS . 1.1 t70 -50.04 -54.78 18.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.143 0.497 . . . . 1.71 109.949 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -52.79 -53.78 43.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.25 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.426 ' CH2' ' HG ' ' A' ' 56' ' ' LEU . 66.3 t-105 -51.56 -45.64 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 2.64 110.312 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -52.63 -52.46 55.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.724 . . . . 2.86 111.179 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -45.54 86.75 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.792 0.33 . . . . 3.03 110.74 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -47.13 87.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 2.38 110.684 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -46.66 81.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 4.07 110.036 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.422 ' NE2' ' N ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -54.45 -55.37 29.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.062 -0.517 . . . . 3.33 109.892 178.653 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' N ' ' NE2' ' A' ' 100' ' ' GLN . 0.4 OUTLIER -50.24 -48.18 54.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.086 -0.506 . . . . 2.59 110.594 179.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.85 74.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 2.24 110.635 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.31 -47.22 66.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.112 -0.495 . . . . 2.56 110.668 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.0 94.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.119 -0.492 . . . . 2.74 110.472 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.62 ' NH2' HD12 ' A' ' 45' ' ' LEU . 16.1 mmt180 -60.64 -33.52 72.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 4.42 110.988 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.69 -30.49 63.92 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 120.78 -0.724 . . . . 3.27 112.0 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.763 0.316 . . . . 4.07 110.815 -179.971 . . . . . . . . 0 0 . 1 stop_ save_